C30H29FN2O7 URIDINE, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 548.56 | - |
Toddi (arbrofol) | 118-120 ° C. | - |
Dwysedd (a ragwelir) | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 9.39 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. |
Gwên Canonaidd O = C1c = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (C (OC) C = C5) C (O) C2F
Gwên isomerig C (OC [C@H] 1O [C@H] ([C@H] (F) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = C4 = CC = C = C = C1) C4) = C
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (35) 26 (31) 28 (31) 28 (31) 28 (31) 28 (31) 21
-17-16-25 (34) 32-29 (33) 36/h3-17,24,26-28,35h, 18h2,1-2h3, (h, 32,34,36)/t24-, 26-, 27-, 28-/m1/s1
Allwedd inchi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 enw arall ar y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)
Eiddo ar gael
Thermol
Thermol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Pwynt toddi | 118-120 ° C. | (1) CAS |
(1) Penjarla, Srishylam; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2018), 37 (4), 232-247, Caplus
Sbectra ar gael
1h nmr
13c nmr
Eiddo ar gael |
Biolegol |
Gemegol |
Ddwysedd |
Lipinski |
Strwythur yn gysylltiedig |
Biolegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 3580 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3580 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3580 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3580 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3580 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3580 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3570 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 3430 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 2500 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 689 | 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 | 12200 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 12200 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 12200 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 12200 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 12200 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 12200 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 12100 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 11700 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 8480 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 2340 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 4.98 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 4.96 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 4.82 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 4.26 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 4.979 ± 0.563 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 9.9 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 9.9 x 10-5 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.4 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.0 x 10-4 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd torfol | 9.9 x 10-5 g/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 1.8 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.5 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 9.2 x 10-7 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.8 x 10-7 mol/l | Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 548.56 | ||
PKA | 9.39 ± 0.10 | Mwyaf Temp Asidig: 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 | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 395.8 ± 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 | 10 | (1) ACD | |
H Derbynyddion | 9 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 11 | (1) ACD | |
logio | 4.979 ± 0.563 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 548.56 |
(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 | 107 A2 | (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