![C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2-[[bis (ffenyl 4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-, 9a-, 9a-, 9a-, 9a -HYDRO-3A. (2r, 3r, 3as, 9ar)- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2-[[bis (ffenyl 4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-, 9a-, 9a-, 9a-, 9a -HYDRO-3A. (2r, 3r, 3as, 9ar)- (9ci, ACI) Delwedd dan sylw](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2-[[bis (ffenyl 4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-, 9a-, 9a-, 9a-, 9a -HYDRO-3A. (2r, 3r, 3as, 9ar)- (9ci, aci)
| Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
| Pwysau moleciwlaidd | 542.58 | - |
| Berwbwynt (a ragwelir) | 692.9 ± 65.0 ° C. | Gwasg: 760 Torr |
| Dwysedd (a ragwelir) | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
| PKA (a ragwelir) | 12.51 ± 0.60 | Mwyaf Temp Asidig: 25 ° C. |
Gwên Canonaidd O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C (OC) C = C6
Gwên isomerig C (OC [C@H] 1O [c @@] 2 ([c@] ([c @@ h] 1o) (OC = 3n2c = c (c) c (= o) n3) [h]) [h]) (c4 = cc = c (c (OC) c = c1) (c5 = c
Inchi
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34h, 18h2,1-3h3/t25-, 26-, 27+, 29-/m1/s1
Allwedd inchi
Bqeqceznliksssh-cithkvlssa-n
1 enw arall ar y sylwedd hwn
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]pyrimidin-6-one (ACI)
Sbectra ar gael
1h nmr
13c nmr
Torfol
| Eiddo ar gael |
| Biolegol |
| Gemegol |
| Ddwysedd |
| Lipinski |
| Strwythur yn gysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Ffactor Bio -ganolbwynt | 2800 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2800 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Ffactor Bio -ganolbwynt | 2790 | 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 | 10200 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Koc | 10200 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Koc | 10200 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 1; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 2; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 3; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 4; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 5; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 6; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 7; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 8; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 9; TEMP: 25 ° C. | (1) ACD |
| log | 4.84 | Ph 10; TEMP: 25 ° C. | (1) ACD |
| logio | 4.839 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid torfol | 3.6 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd torfol | 3.6 x 10-4 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd cynhenid molar | 6.6 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
| Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.7 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
| Hydoddedd molar | 6.6 x 10-7 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 542.58 | ||
| PKA | 12.51 ± 0.60 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
| PKA | -4.38 ± 0.60 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
| Pwysau anwedd | 3.73 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 | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
| Cyfaint molar | 404.9 ± 7.0 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 | 9 | (1) ACD | |
| H Derbynyddion | 9 | (1) ACD | |
| H rhoddwyr | 1 | (1) ACD | |
| H rhoddwr/derbynnydd swm | 10 | (1) ACD | |
| logio | 4.839 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Pwysau moleciwlaidd | 542.58 |
(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 | 99.1 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 | 692.9 ± 65.0 ° C. | Gwasg: 760 Torr | (1) ACD |
| Enthalpi anweddiad | 106.61 ± 3.0 kj/mol | Gwasg: 760 Torr | (1) ACD |
| Phwynt fflach | 372.8 ± 34.3 ° 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
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