C31H32N2O8 URIDINE, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- (9c i, aci)
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 560.60 | - |
Dwysedd (a ragwelir) | 1.35 ± 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 (OC) C = C5) C (O) C2OC
Gwên isomerig C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (C (OC) C = C3) (C4 = CC = C = C = C = C1) C4) C1) C4) C1 = C
Inchi
Inchi = 1s/c31h32n2o8/c1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) 28 (39-3)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19h2,1-3h3, (H, 32,34,36)/t25-, 27-, 28-, 29-/m1/s1
Allwedd inchi
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 enw arall ar gyfer y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyluridine (ACI); 5'-o- (4,4'-dimethoxytrityl) -2'-o-methyluridine
Sbectra ar gael
1h nmr
Torfol
Eiddo ar gael |
Biolegol |
Gemegol |
Ddwysedd |
Lipinski |
Strwythur yn gysylltiedig |
Biolegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 1240 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1240 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1240 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1240 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1240 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1240 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1230 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1190 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 861 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 238 | 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 | 5690 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 5690 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 5690 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 5690 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 5690 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 5690 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 5670 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 5450 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 3960 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 1100 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 4.37 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 4.35 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 4.21 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 3.66 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 4.372 ± 0.582 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 3.7 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.8 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.3 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.9 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.7 x 10-4 g/l | Dŵr heb ei drin pH 6.99; 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 |
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 |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 6.6 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.8 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 9.4 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.4 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.6 x 10-7 mol/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 560.60 | ||
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 | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 412.9 ± 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 | 11 | (1) ACD | |
H Derbynyddion | 10 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 12 | (1) ACD | |
logio | 4.372 ± 0.582 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 560.60 |
(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 | 116 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