C31H32N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- (9C I, ACI)
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 560.60 | - |
Cufnaanta (La saadaaliyay) | 1.35±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2OC
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8) -20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
Furaha InChi
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Magacyo kale oo Walaxdan ah
5′-O-[Bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyluridine (ACI); 5′-O-(4,4′-Dimethoxytril)-2′-O-methyluridine
Spectra waa la heli karaa
1H NMR
Mass
Guryaha la heli karo |
Nafley |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 1240 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1240 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1240 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1240 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1240 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1240 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1230 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1190 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 861 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 238 | 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 | 5690 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 5690 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 5690 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 5690 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 5690 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 5690 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 5670 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 5450 | pH 8; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 3960 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 1100 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 4.37 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 4.35 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 4.21 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 3.66 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 4.372± 0.582 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 3.7 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.8 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.3 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.9 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.7 x 10-4 g/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 6.6 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 6.6 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.8 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 9.4 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.4 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.6 x 10-7 mol/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 560.60 | ||
pKa | 9.39±0.10 | Heerkulka ugu acidic badan: 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 | 1.35±0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 412.9 ± 5.0 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 | 10 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 12 | (1) ACD | |
logP | 4.372± 0.582 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 560.60 |
(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 | 116 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