![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, aci) h319, h302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, aci) h319, h302 delwedd dan sylw dan sylw](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, aci) h319, h302
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 263.25 | - |
| Toddi (arbrofol) | 177.1-178.3 ° C. | - |
| Berwbwynt (a ragwelir) | 666.6 ± 55.0 ° C. | Gwasg: 760 Torr |
| Dwysedd (a ragwelir) | 1.50 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 11.20 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Gwên isomerig C (c) [c@] 1 (o) c2 = c (c (= o) n3c (= c2) c (= o) cc3) coc1 = o
Inchi
Inchi = 1s/c13h13no5/c1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17/h5,18h, 2-4,6h2,1h3/t13-/m0/s1
Allwedd inchi
IgkwogmvaOyVsj-zdusscgksa-n
5 Enwau Eraill ar gyfer y Sylwedd hwn
(4s) -4-ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-F] indolizine-3,6,10 (4H) -trione (ACI); 1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (s)-(zci); (4s) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-F] indolizine-3,6,10 (4H) Trione; (4s) -4-ethyl-4-
Hydroxy-7,8-dihydro-1H-Pyrano [3,4-F] indolizine-3,6,10-trione; (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione
| Eiddo ar gael |
| Optegol a gwasgaru |
| Thermol |
Optegol a gwasgaru
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Pŵer cylchdro optegol | +120.6 deg | C: 0.62 g/100ml; Toddydd: clorofform | (1) IC |
| Pŵer cylchdro optegol | +120.57 deg | C: 0.62 g/100ml; Toddydd: clorofform; TEMP: 20 ° C. | (2) IC |
| Pŵer cylchdro optegol | +119.57 deg | C: 1.0 g/100ml; Toddydd: clorofform; λ: 589.3 nm; TEMP: 25 ° C. | (3) CAS |
| Pŵer cylchdro optegol | +119.57 gradd · ml/g · dm | C: 1.0 g/100ml; Toddydd: clorofform; λ: llinell sodiwm D; TEMP: 25 ° C. | (4) CAS |
| Pŵer cylchdro optegol | +117.6 deg | C: 0.56 g/100ml; Toddydd: clorofform; TEMP: 23 ° C. | (5) IC |
| Pŵer cylchdro optegol | +116.14 gradd · ml/g · dm | C: 1.0 g/100ml; Toddydd: clorofform; λ: llinell sodiwm D; TEMP: 26 ° C. | (4) CAS |
| Pŵer cylchdro optegol | +96 deg | C: 0.40 g/100ml; TEMP: 21 ° C. | (6) IC |
| Pŵer cylchdro optegol | +77.8 deg | C: 0.62 g/100ml; Toddydd: clorofform; λ: 589.3 nm; TEMP: 25 ° C. | (7) CAS |
(1) Terasawa, Hirofumi; Bwletin Cemegol a Fferyllol, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Cyfnodolyn Cemeg Organig, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Cemeg - Cyfnodolyn Asiaidd, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Cyfnodolyn y Gymdeithas Cemegol, Trafodion Perkin 1: Cemeg Organig a Bio-Organig (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell | |
| Pwynt toddi | 183-185 ° C (dadelfennu) | (1) CAS | ||
| Pwynt toddi | 177.1-178.3 ° C. | (2) CAS | ||
| Pwynt toddi | 176-177 ° C (dadelfennu) | (3) IC | ||
| Pwynt toddi | 169-170 ° C. | Toddydd: | Asetad ethyl | (4) IC |
(1) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Cyfnodolyn Cemeg Organig, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Cyfnodolyn y Gymdeithas Cemegol, Trafodion Perkin 1: Cemeg Organig a Bio-Organig (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
Sbectra ar gael
1h nmr
Torfol
| Eiddo ar gael |
| Biolegol |
| Gemegol |
| Ddwysedd |
| Lipinski |
| Strwythur yn gysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 1.0 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Koc | 7.37 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.37 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Koc | 7.37 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Koc | 7.33 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Koc | 6.94 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | -0.94 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | -0.96 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| logio | -0.936 ± 0.842 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 371 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 392 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 371 g/l | Dŵr heb ei drin pH 5.53; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 1.41 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.41 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.41 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.41 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.41 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 1.41 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell | |
| Hydoddedd molar | 1.41 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD | |
| Hydoddedd molar | 1.41 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD | |
| Hydoddedd molar | 1.41 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD | |
| Hydoddedd molar | 1.41 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD | |
| Hydoddedd molar | 1.49 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD | |
| Hydoddedd molar | 1.41 mol/l | Dŵr heb ei drin pH 5.53; TEMP: 25 ° C. | (1) ACD | |
| Pwysau moleciwlaidd | 263.25 | |||
| PKA | 11.20 ± 0.20 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD | |
| PKA | -2.24 ± 0.40 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD | |
| Pwysau anwedd | 1.29 x 10-20 | Torr | TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ddwysedd | 1.50 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 174.8 ± 5.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Bondiau rotatable yn rhydd | 2 | (1) ACD | |
| H Derbynyddion | 6 | (1) ACD | |
| H rhoddwyr | 1 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 7 | (1) ACD | |
| logio | -0.936 ± 0.842 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 263.25 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Arwynebedd pegynol | 83.9 A2 | (1) ACD | |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Thermol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Berwbwyntiau | 666.6 ± 55.0 ° C. | Gwasg: 760 Torr | (1) ACD |
| Enthalpi anweddiad | 112.17 ± 6.0 kj/mol | Gwasg: 760 Torr | (1) ACD |
| Phwynt fflach | 357.0 ± 31.5 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr
| Codiff | Datganiad Peryglon | Ffynhonnell |
| H319 | Yn achosi llid llygad difrifol | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
| H302 | Niweidiol os caiff ei lyncu | Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |
Gwybodaeth Fusnes Gyfrinachol: Cyhoeddus
| Cyfystyron rheoleiddio | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno (3,4-f) indolizine-3,6,10 (4h) -trione | - | Ffrengig |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] indolizine-3,6,10 (4h) -trione | - | Ffrengig |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) indolizin-3,6,10 (4h) -trion | - | Daneg, Almaeneg |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) indolizine-3,6,10 (4h) -trion | - | Iseldireg |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -trion | - | Daneg, Almaeneg |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trion | - | Iseldireg |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione | - | - |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO (3,4-F) indolizina-3,6,10 (4H) -triona | - | Portiwgaleg, Sbaeneg |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO [3,4-F] indolizina-3,6,10 (4H) -triona | - | Portiwgaleg, Sbaeneg |
| (S) -4-ETIL-4-Idrossi-7,8-diidro-1H-Pirano (3,4-F) indolizin-3,6,10 (4H) -trione | - | Eidalwr |
| (S) -4-ETIL-4-Idrossi-7,8-diidro-1H-Pirano [3,4-F] indolizin-3,6,10 (4H) -trione | - | Eidalwr |
| (S) -4-ETYL-4-hydroxi-7,8-dihydro-1H-pyrano (3,4-F) indolizin-3,6,10 (4h) -trion | - | Sweden |
| (S) -4-Etyl-4-hydroxi-7,8-dihydro-1H-pyrano [3,4-F] indolizin-3,6,10 (4h) -trion | - | Sweden |
| (S) -4-ETYLI-4-hydroksi-7,8-dihydro-1H-pyrano (3,4-F) indolitsiini-3,6,10 (4h) -trioni | - | Ffindir |
| (S) -4-ETYLI-4-hydroksi-7,8-dihydro-1h-pyrano [3,4-f] indolitsiini-3,6,10 (4h) -trioni | - | Ffindir |
Manylion yn ôl Rhestrau Gwlad/Rhyngwladol a Rhestrau Eraill
Cod Tariff wedi'i Gysoni: 293499 Gwybodaeth Gwlad/Rhanbarth ar gael
Crynodeb yr Undeb Ewropeaidd
Baneri'r UE
Cod Tollau'r UE CN: 29349990
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