C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox-anthyl) -5-methyl- (9ci, aci)
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 617.69 | - |
Berwbwynt (a ragwelir) | 762.6 ± 70.0 ° C. | Gwasg: 760 Torr |
Dwysedd (a ragwelir) | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 13.31 ± 0.70 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd o = c1n = c (n) c (= cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2occoc) c
Gwên isomerig C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2) (C3 = CC = C (C (OC) C = C3) (C4 = C = C = C)
Inchi
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-28-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-23 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-/S11/M.
Allwedd inchi
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24 ENW arall ar gyfer y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Tudalen: 17 Hawliedig RNA; 12: PN: US20030211606 Tudalen: 18 Hawliedig R NA; 12: PN: US20030212017 Tudalen: 19 Hawliedig R NA; 14: PN: US20040005569 PAG E: 21 Hawliedig R NA; 15: PN: US20040005565 Tudalen: 17- 22 Hawliedig RNA; 15: PN: US20040005570 Tudalen: 19 Hawliedig R NA; 15: PN: U S20040006030 Tudalen: 22 Hawliedig R NA; 15: PN: US20040014048 Tudalen: 19 Hawliedig R NA; 16: PN: US20030171313 Tudalen: 9 Hawliedig RNA; 16: PN: US20030198965 Tudalen: 19 Hawliedig R Na; 16: PN: US20040014047 Tudalen: 19 Hawliedig R NA; 16: PN: US20040014049 Tudalen:
19 hawlio RNA; 17: PN: US20040014051 Tudalen: 21 Hawliedig R NA; 17: PN: US20040014699 Tudalen: 19 Hawliedig R NA; 17: PN: w
O03106645 Tudalen: 69 Hawliedig R NA; 18: PN: US20040006029 Tudalen: 22 Hawliedig R NA; 2'-o-methoxyethyl-5'-o-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Tudalen: 15 Hawliedig R Na; 5: PN: WO2005006958 Tudalen: 61 Hawliedig R NA; 7: PN: WO20050 07825 Tudalen: 61 Hawliedig R NA; 82: PN: US20040171566 Tudalen: 18 Hawliedig R NA; 89: PN: US20040005707 Tudalen: 19 Hawliedig R NA; 9: PN: WO03084478 Tudalen: 56 Hawliedig R NA
Eiddo ar gael |
Biolegol |
Gemegol |
Ddwysedd |
Lipinski |
Strwythur yn gysylltiedig |
Thermol |
Biolegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 1.56 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.99 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 6.19 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 38.0 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 116 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 146 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 150 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 151 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 151 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 151 | 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 | 13.0 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 16.6 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 51.8 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 318 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 966 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 1220 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 1260 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | 1.18 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 1.29 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 1.78 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 2.57 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 3.05 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 3.16 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 3.17 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 3.17 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 3.17 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 3.17 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 3.169 ± 0.598 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 5.2 x 10-3 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.51 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.40 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.13 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 0.020 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 6.8 x 10-3 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.4 x 10-3 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.3 x 10-3 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.2 x 10-3 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.2 x 10-3 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.2 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 5.3 x 10-3 g/l | Dŵr heb ei drin pH 7.05; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 8.4 x 10-6 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.2 x 10-4 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.4 x 10-4 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 2.1 x 10-4 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.3 x 10-5 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 1.1 x 10-5 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 8.7 x 10-6 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.5 x 10-6 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.4 x 10-6 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.4 x 10-6 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.4 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.5 x 10-6 mol/l | Dŵr heb ei drin pH 7.05; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 617.69 | ||
PKA | 13.31 ± 0.70 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | 4.58 ± 0.10 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
Pwysau anwedd | 1.89 x 10-24 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 | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 483.8 ± 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 | 14 | (1) ACD | |
H Derbynyddion | 11 | (1) ACD | |
H rhoddwyr | 3 | (1) ACD | |
H rhoddwr/derbynnydd swm | 14 | (1) ACD | |
logio | 3.169 ± 0.598 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 617.69 |
(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 | 134 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 | 762.6 ± 70.0 ° C. | Gwasg: 760 Torr | (1) ACD |
Enthalpi anweddiad | 116.53 ± 3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
Phwynt fflach | 415.0 ± 35.7 ° 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