C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) Phenylmethyl] -2 ′ -o- (2-methoxyethyl)-5-methyl) Physhyl-, 3 ′
Rhif Cofrestrfa CAS
163759-94-2
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 922.01 | - |
PKA (a ragwelir) | 8.59 ± 0.40 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C) = C) = C) = C
Gwenau isomerig
C (OC [c @@ H] 1 [c @@ H] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (occoc) [c @@ h] (o1) n2c (= o) n = c (nc (= o) c3 = c3 = cc = cc = cc = c) = c = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-13-10-14-19-20-24-7 (25-24-711 (25-20-2411111 ( ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 57) 52-47 (56-237-216-17-17-17-12-12-12-12-12-12-12-12-17-12-12-12-12-12-12-12-12-212-12-17-17-17-17-17-17-2 35,43-45,48H, 15,29-31,33h2,1-8H3, (h, 52,53,56,57)/t43-, 44-, 45-, 48-, 66?/M1/s1
Allwedd inchi
Fligvmliidvdsn-gicdfoiusa-n
26 Enwau eraill ar gyfer y sylwedd hwn
Cytidine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 12: PN: WO03084478 Tudalen: 57 Hawliedig DNA; 14: PN: US20030170636 Tudalen: 17 Hawliedig DNA; 15: PN: U.
S20030211606 Tudalen: 19 Hawliedig DNA; 15: PN: US20030212017 Tudalen: 19 Hawliedig DNA; 16: PN: US20040005569 Tudalen: 22 Hawliedig DNA; 17: PN: US20040006030 Tudalen: 23 Hawliedig DNA; 17: PN: US20040014049 Tudalen: 20 Hawliedig DNA; 18: PN: US20040014047 PAG E: 20 Hawliedig DNA; 18: PN: US20040014048 Tudalen: 20 honnodd DNA; 18: PN: US20040014050 Tudalen: 20 Hawliedig DNA; 19: PN: U.
S20030171313 Tudalen: 9 Hawliedig DNA; 19: PN: US20030198965 Tudalen: 20 honnodd DNA; 19: PN: US20040005565 Tudalen: 17- 22 Hawliedig DNA; 19: PN: US20040005570 Tudalen: 20 Hawliedig DNA; 19: PN: US20040014051 Tudalen: 22 Hawliedig DNA; 20: PN: US20040014699 PAG
E: 20 honnodd DNA; 21: PN: US20040006029 Tudalen: 23 Hawliedig DNA; 21: PN: WO03106645 Tudalen: 72 Hawliedig DNA; 61: PN: US20030
166592 Tudalen: 15 honnodd DNA; 7: PN: WO2005006958 Tudalen: 62 Hawliedig DNA; 84: PN: US20040171566 Tudalen: 18 Hawliedig DNA; 92:
PN: US20040005707 Tudalen: 20 honnodd DNA; 9: PN: WO2005007825 Tudalen: 62 Hawliedig DNA;N4-Benzoyl-2 ′-O-methoxyethyl-5-O-dimethoxytrityl-5-methylcytidine-3 ′ -phosphoramidite;N4-Benzoyl-2 ′-O-methoxyethyl -5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′-Amidite
Sbectra ar gael
13 C NMR
Hetero nmr
Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 171 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1250 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 47600 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 6.44 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.00 x 106 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 7.79 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.63 x 105 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 30800 | 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 | 106 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 773 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 29500 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 3.99 x 105 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 8.02 x 105 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 8.70 x 105 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 8.16 x 105 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 4.83 x 105 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 1.01 x 105 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 19100 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 4.48 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 5.34 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 6.92 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 8.06 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 8.36 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 8.39 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 8.37 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 8.14 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 7.46 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 6.73 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 8.401 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 1.4 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.1 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.16 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.1 x 10-3 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.0 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.5 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.4 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.5 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 2.5 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.2 x 10-3 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 6.3 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.5 x 10-4 g/l | Dŵr heb ei drin pH 6.97; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 1.5 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.2 x 10-3 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 1.7 x 10-4 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 4.4 x 10-6 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.2 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.6 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.5 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.6 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.7 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.3 x 10-6 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.8 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.6 x 10-7 mol/l | Dŵr heb ei drin pH 6.97; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 922.01 | ||
PKA | 8.59 ± 0.40 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | 3.87 ± 0.20 | Temp mwyaf sylfaenol: 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 |
Bondiau rotatable yn rhydd | 22 | (1) ACD | |
H Derbynyddion | 15 | (1) ACD | |
H rhoddwyr | 1 | (1) ACD | |
H rhoddwr/derbynnydd swm | 16 | (1) ACD | |
logio | 8.401 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 922.01 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 176 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR