C33H35N3O8 Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O- methyl- (9CI, ACI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 601.65 | - |
Cufnaanta (La saadaaliyay) | 1.28± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 10.19±0.20 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O =C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
Furaha InChi
FINUHOJILDNELQ-PMFUCWTESA-N
1 Magaca kale ee walaxdan
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (ACI)
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 8.87 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 27.8 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 171 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 515 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 650 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 668 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 668 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 657 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 560 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 229 | 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 | 48.6 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 152 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 935 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 2820 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 3560 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 3660 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 3660 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 3600 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 3070 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 1250 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 2.14 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 2.64 | pH 2; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logD | 3.43 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 3.91 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 4.01 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 4.02 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 4.02 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 4.01 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 3.94 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 3.55 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 4.021± 0.768 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 1.3 x 10-3 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.10 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.032 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.2 x 10-3 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.7 x 10-3 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.4 x 10-3 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.3 x 10-3 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.3 x 10-3 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.3 x 10-3 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.6 x 10-3 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.9 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.3 x 10-3 g/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 2.2 x 10-6 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.7 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.3 x 10-5 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.6 x 10-6 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.9 x 10-6 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.3 x 10-6 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.2 x 10-6 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.2 x 10-6 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.2 x 10-6 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.6 x 10-6 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.4 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 2.2 x 10-6 mol/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 601.65 | ||
pKa | 10.19±0.20 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.57±0.20 | Heerkulka ugu badan ee aasaasiga ah: 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 | 1.28± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 466.5 ± 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 | 11 | (1) ACD | |
H Aqbalayaasha | 11 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 13 | (1) ACD | |
logP | 4.021± 0.768 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 601.65 |
(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 | 128 A2 | (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