C31H32N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- (9C I, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 560.60 | - |
Girma (An annabta) | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr |
pKa (An annabta) | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES 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
InChi Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Wasu Sunaye na wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyluridine (ACI);5'-O- (4,4'-Dimethoxytril) -2'-O-methyluridine
Spectra akwai
1H NMR
Mass
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 1240 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1240 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1240 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1240 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1240 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1240 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1230 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1190 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 861 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 238 | 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 | 5690 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
Koc | 5690 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
Koc | 5690 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
Koc | 5690 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
Koc | 5690 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
Koc | 5690 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
Koc | 5670 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
Koc | 5450 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Koc | 3960 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
Koc | 1100 | pH 10;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
logD | 4.37 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
logD | 4.35 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
logD | 4.21 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
logD | 3.66 | pH 10;Zazzabi: 25 ° C | (1) ACD |
logP | 4.372± 0.582 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.7 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.8 x 10-4 g/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.3 x 10-4 g/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | Ruwan da ba a buƙata ba pH 6.99;Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 6.6 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 6.6 x 10-7 mol/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.8 x 10-7 mol/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 9.4 x 10-7 mol/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.4 x 10-6 mol/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 6.6 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 6.99;Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 560.60 | ||
pKa | 9.39± 0.10 | Mafi yawan zafin jiki: 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 | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 412.9± 5.0 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 | 11 | (1) ACD | |
H Masu karɓa | 10 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 12 | (1) ACD | |
logP | 4.372± 0.582 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 560.60 |
(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 | 116 A2 | (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