C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 617.69 | - |
Wurin tafasa (An annabta) | 762.6±70.0 °C | Latsa: 760 Torr |
Girma (An annabta) | 1.27± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 13.31± 0.70 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 (C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
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 (23-8-6-5-7-9-23,24-10-14-26(4) 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-,32-/m1/s1
InChi Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Wasu Sunaye na wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 SHAFI: 17 da'awar RNA; 12: PN: US20030211606 SHAFI: 18 da'awar R NA; 12: PN: US20030212017 SHAFI: 19 da'awar R NA; 14: PN: US20040005569 PAG E: 21 da'awar R NA; 15: PN: US20040005565 SHAFI: 17- 22 da'awar RNA; 15: PN: US20040005570 SHAFI: 19 da'awar R NA; 15: PN: U S20040006030 SHAFI: 22 da'awar R NA; 15: PN: US20040014048 SHAFI: 19 da'awar R NA; 16: PN: US20030171313 SHAFI: 9 da'awar RNA; 16: PN: US20030198965 SHAFI: 19 da'awar R NA; 16: PN: US20040014047 SHAFI: 19 da'awar R NA; 16: PN: US20040014049 SHAFI:
19 da'awar RNA; 17: PN: US20040014051 SHAFI: 21 da'awar R NA; 17: PN: US20040014699 SHAFI: 19 da'awar R NA; 17: PN: W
O03106645 SHAFI: 69 da'awar R NA; 18: PN: US20040006029 SHAFI: 22 da'awar R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 SHAFI: 15 da'awar R NA; 5: PN: WO2005006958 SHAFI: 61 da'awar R NA; 7: PN: WO20050 07825 SHAFI: 61 da'awar R NA; 82: PN: US20040171566 SHAFI: 18 da'awar R NA; 89: PN: US20040005707 SHAFI: 19 da'awar R NA; 9: PN: WO03084478 SHAFI: 56 da'awar R NA
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Thermal |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 1.56 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.99 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 6.19 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 38.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 116 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 146 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 150 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 151 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 151 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 151 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Dukiya | Daraja | Sharadi | Source |
Koc | 13.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 16.6 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 51.8 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 318 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 966 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 1220 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 1260 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Koc | 1260 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 1260 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 1260 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 1.18 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 1.29 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 1.78 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 2.57 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 3.05 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 3.16 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 3.17 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 3.17 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 3.17 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 3.17 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 3.169± 0.598 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 5.2 x 10-3 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.51 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.40 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.13 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.020 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 6.8 x 10-3 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.4 x 10-3 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.3 x 10-3 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.3 x 10-3 g/L | Ruwan da ba a buƙata ba pH 7.05; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 8.4 x 10-6 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.2 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.4 x 10-4 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.1 x 10-4 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.3 x 10-5 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-5 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 8.7 x 10-6 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.5 x 10-6 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.4 x 10-6 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.4 x 10-6 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.4 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 8.5 x 10-6 mol/L | Ruwan da ba a buƙata ba pH 7.05; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 617.69 | ||
pKa | 13.31± 0.70 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 4.58± 0.10 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
Ruwan Ruwa | 1.89 x 10-24 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
Dukiya | Daraja | Sharadi | Source |
Yawan yawa | 1.27± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 483.8± 7.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 14 | (1) ACD | |
H Masu karɓa | 11 | (1) ACD | |
H Masu Ba da taimako | 3 | (1) ACD | |
H Donor/Acceptor Sum | 14 | (1) ACD | |
logP | 3.169± 0.598 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 617.69 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Wuri Mai Girma | 134 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
Dukiya | Daraja | Sharadi | Source |
Wurin Tafasa | 762.6±70.0 °C | Latsa: 760 Torr | (1) ACD |
Enthalpy na Vaporization | 116.53± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
Wurin Flash | 415.0± 35.7 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR