![C31H32N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl] -2′-O-methyl- (9C I, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C31H32N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl] -2′-O-methyl- (9C I, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 560.60 ib | - |
| Ceev (Predicted) | 1.35 ± 0.1g / cm3 | Kub: 20 ° C;Xov: 760 Torr |
| pKa (Predicted) | 9.39 ± 0.10 | Feem ntau acidic kub: 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 Lwm lub npe rau cov khoom no
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI);5'-O-(4,4'-Dimethoxytrityl)-2'-O-methyluridine
Spectra muaj
1 H NMR
Pawg
| Cov khoom muaj |
| Tshuaj lom neeg |
| Tshuaj |
| Qhov ntom |
| Lipinski |
| Cov qauv ntsig txog |
Tshuaj lom neeg
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 1240 | pH 1;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1240 | pH 2;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1240 | pH 3;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1240 | pH 4;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1240 | pH 5;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1240 | pH 6;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1230 | pH 7;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1190 ib | pH 8;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 861 ib | pH 9;Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 238 | pH 10;Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tshuaj
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 5690 ua | pH 1;Kub: 25 ° C | (1) ACD |
| Koc | 5690 ua | pH 2;Kub: 25 ° C | (1) ACD |
| Koc | 5690 ua | pH 3;Kub: 25 ° C | (1) ACD |
| Koc | 5690 ua | pH 4;Kub: 25 ° C | (1) ACD |
| Koc | 5690 ua | pH 5;Kub: 25 ° C | (1) ACD |
| Koc | 5690 ua | pH 6;Kub: 25 ° C | (1) ACD |
| Koc | 5670 ua | pH 7;Kub: 25 ° C | (1) ACD |
| Koc | 5450 ua | pH 8;Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | ib 3960 | pH 9;Kub: 25 ° C | (1) ACD |
| Koc | 1100 | pH 10;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 1;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 2;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 3;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 4;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 5;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 6;Kub: 25 ° C | (1) ACD |
| logD | 4.37 ib | pH 7;Kub: 25 ° C | (1) ACD |
| logD | 4.35 Nws | pH 8;Kub: 25 ° C | (1) ACD |
| logD | 4.21 | pH 9;Kub: 25 ° C | (1) ACD |
| logD | 3.66 ib | pH 10;Kub: 25 ° C | (1) ACD |
| logP | 4.372 ± 0.582 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.7 x 10-4 g/L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 1;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 2;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 3;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 4;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 5;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 6;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | pH 7;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.8 x 10-4 g / L | pH 8;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.3 x 10-4 g / L | pH 9;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.9 x 10-3 g/L | pH 10;Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.7 x 10-4 g/L | Unbuffered Dej pH 6.99;Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 1;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 2;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 3;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 4;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 5;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 6;Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 7;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.8 x 10-7 mol / L | pH 8;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 9.4 x 10-7 mol / L | pH 9;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.4 x 10-6 mol / L | pH 10;Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | Unbuffered Dej pH 6.99;Kub: 25 ° C | (1) ACD |
| Molecular Luj | 560.60 ib | ||
| pKa | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qhov ntom
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Qhov ntom | 1.35 ± 0.1g / cm3 | Kub: 20 ° C;Xov: 760 Torr | (1) ACD |
| Molar Volume | 412.9 ± 5.0 cm3/mol | Kub: 20 ° C;Xov: 760 Torr | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 11 | (1) ACD | |
| H Txais | 10 | (1) ACD | |
| H Pub | 2 | (1) ACD | |
| H Pub/Acceptor Sum | 12 | (1) ACD | |
| logP | 4.372 ± 0.582 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 560.60 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Polar Surface Area | 116 A2 | (1) ACD | |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
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