C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Rhif Cofrestrfa CAS
22423-26-3
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 240.21 | - |
Toddi (arbrofol) | 218 ° C. | Toddydd: ethanol; Isopropanol |
Berwbwynt (a ragwelir) | 452.0 ± 55.0 ° C. | Gwasg: 760 Torr |
Dwysedd (a ragwelir) | 1.88 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 12.56 ± 0.60 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
O = C1n = C2OC3C (O) C (OC3N2C = C1C) CO
Gwenau isomerig
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c (c) = c3) (o [c @@ h] 1co) [h]) [h]
Inchi
Inchi = 1s/c10h12n2o5/c1-4-2-12-9-7 (6 (14) 5 (3-13) 16-9) 17-10 (12) 11-8 (4) 15/h2,5-7,9,9,13-14h, 3h2,1h3/t5-, 6-, 9-/m, 9-
Allwedd inchi
Wlloaucnumyoqi-jagxhnfqsa-n
17 ENW arall ar gyfer y sylwedd hwn
(2R,3 R, 3aS, 9aR) -2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un (ACI);
6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl- (6ci, 7ci, 8ci); 6H-Furo
[2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R- (2α, 3β, 3Aβ, 9Aβ)]- (ZCI);
11: PN: US20040014699 Tudalen: 18 Hawliedig DNA; 12: PN: US20040005565 Tudalen: 17- 22 Hawliedig DNA; 12: PN: US20040005570 Tudalen: 18 Hawliedig DNA; 12: PN: US20040006029 Tudalen: 21 Hawliedig DNA; 12: PN: US20040014051 Tudalen: 21 Hawliedig DNA; 1: PN: WO20050 06958 Tudalen: 59 Hawliedig DNA; 2,2 ′ -Hydro (1- β -D-arabinofuranosyl)-5-methyluracil; 3: PN: WO2005007825 Tudalen: 59 Hawliedig DNA; 84: PN: US20040005707 Tudalen: 18 Hawliedig DNA; 9: PN: US20040014048 Tudalen: 19 Hawliedig DNA; 9: PN: US20040014049 Tudalen: 19
hawlio DNA;O2,2 ′ -Hydro-5-methyluridine; O2,2 ′ -Hydro-5-methyluridine; TK 112690
Eiddo ar gael
Thermol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Pwynt toddi | 240-242 ° C. | (1) CAS | |
Pwynt toddi | 218 ° C. | Toddydd: ethanol; Isopropanol | (2) CAS |
Pwynt toddi | Gweler Testun Llawn | (3) CAS | |
Pwynt toddi | Gweler Testun Llawn | (4) CAS |
(1) Oliveira, Maralise P.; Cyfnodolyn Cymdeithas Cemegol Brasil, (2015), 26 (4), 816-821, Caplus
(2) Takatsuki, Ken-idd; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2006), 25 (7), 719-734, Caplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, Caplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, Caplus
Sbectra ar gael
1 h nmr
13 C NMR
Hetero nmr
Torfol
Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
Thermol
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)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 12.9 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | -0.49 | Ph 10; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
logio | -0.491 ± 0.556 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 3.1 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.1 g/l | Dŵr heb ei drin pH 6.94; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 0.013 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.013 mol/l | Dŵr heb ei drin pH 6.94; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 240.21 | ||
PKA | 12.56 ± 0.60 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | -4.36 ± 0.60 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
Pwysau anwedd | 4.54 x 10-10 Torr | TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ddwysedd | 1.88 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 127.5 ± 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)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 3 | (1) ACD | |
H Derbynyddion | 7 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 9 | (1) ACD | |
logio | -0.491 ± 0.556 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 240.21 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 91.6 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Berwbwyntiau | 452.0 ± 55.0 ° C. | Gwasg: 760 Torr | (1) ACD |
Enthalpi anweddiad | 82.04 ± 6.0 kj/mol | Gwasg: 760 Torr | (1) ACD |
Phwynt fflach | 227.2 ± 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 ⁿ
1 h nmr
13 C NMR