C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 617.69 | - |
Barta karkarinta (La saadaaliyay) | 762.6±70.0 °C | Riix: 760 Torr |
Cufnaanta (La saadaaliyay) | 1.27±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 13.31 ± 0.70 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta 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 )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
Furaha InChi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Magacyo kale oo Walaxdan ah
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 PAGE: 17 sheegtay RNA; 12: PN: US20030211606 PAGE: 18 sheegtay R NA; 12: PN: US20030212017 PAGE: 19 ayaa sheegtay R NA; 14: PN: US20040005569 PAG E: 21 sheegtay R NA; 15: PN: US20040005565 PAGE: 17- 22 sheegtay RNA; 15: PN: US20040005570 PAGE: 19 ayaa sheegtay R NA; 15: PN: U S20040006030 PAGE: 22 ayaa sheegtay R NA; 15: PN: US20040014048 PAGE: 19 sheegtay R NA; 16: PN: US20030171313 PAGE: 9 sheegtay RNA; 16: PN: US20030198965 PAGE: 19 sheegtay R NA; 16: PN: US20040014047 PAGE: 19 ayaa sheegtay R NA; 16: PN: US20040014049 PAGE:
19 ayaa sheegtay RNA; 17: PN: US20040014051 PAGE: 21 ayaa sheegtay R NA; 17: PN: US20040014699 PAGE: 19 ayaa sheegtay R NA; 17: PN: W
O03106645 PAGE: 69 ayaa sheegtay R NA; 18: PN: US20040006029 PAGE: 22 ayaa sheegtay R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 PAGE: 15 sheegtay R NA; 5: PN: WO2005006958 PAGE: 61 sheegtay R NA; 7: PN: WO20050 07825 PAGE: 61 sheegtay R NA; 82: PN: US20040171566 PAGE: 18 sheegtay R NA; 89: PN: US20040005707 PAGE: 19 sheegtay R NA; 9: PN: WO03084478 PAGE: 56 ayaa sheegtay R NA
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Kulul |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 1.56 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.99 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 6.19 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 38.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 116 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 146 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 150 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 151 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 151 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 151 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 13.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 318 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 966 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 1260 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 1.18 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 1.29 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 1.78 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 2.57 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 3.05 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 3.16 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 3.17 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 3.17 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 3.17 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 3.17 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 3.169± 0.598 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 5.2 x 10-3 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.51 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.40 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.13 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.020 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 6.8 x 10-3 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.4 x 10-3 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.3 x 10-3 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.2 x 10-3 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.2 x 10-3 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.2 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.3 x 10-3 g/L | Biyaha aan la daboolin pH 7.05; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 8.4 x 10-6 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.2 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.4 x 10-4 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.1 x 10-4 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.3 x 10-5 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-5 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 8.7 x 10-6 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.5 x 10-6 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.4 x 10-6 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.4 x 10-6 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.4 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.5 x 10-6 mol/L | Biyaha aan la daboolin pH 7.05; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 617.69 | ||
pKa | 13.31 ± 0.70 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
Cadaadis uumiga | 1.89 x 10-24 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 1.27±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 483.8± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 14 | (1) ACD | |
H Aqbalayaasha | 11 | (1) ACD | |
H Deeq-bixiyayaasha | 3 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
logP | 3.169± 0.598 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 617.69 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Aagga dusha sare ee Polar | 134 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Barta Karsan | 762.6±70.0 °C | Riix: 760 Torr | (1) ACD |
Enthalpy of uumiga | 116.53± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
Barta Fiishka | 415.0± 35.7 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR