![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI) Featured duab](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 660.83 ib | - |
| Density (Tswv Ntuj) | 1.24 ± 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)C2O[Si](C)(C)C(C)(C)C
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C(C)[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/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13-17-27(42-4)18-14-25)26-15-19-28( 43-5) 20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
InChI Key
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Lwm lub npe rau cov khoom no
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2'-O-tert-Butyldimethylsilyl-5'-O-(4,4'- dimethoxytrityl) uridine
Spectra muaj
1 H NMR
13 C NMR
Hetero 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 | 2.21 x 105 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.21 x 105 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.21 x 105 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.21 x 105 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.21 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.21 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.20 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.12 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.54 x 105 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 4 2500 | 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 | 2.33 x 105 | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 2.33 x 105 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 2.33 x 105 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 2.33 x 105 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 2.33 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 2.33 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 2.32 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 2.23 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 1.62 x 105 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 4 4800 | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 7.33 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 7.32 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 7.18 Nws | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 6.62 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 7.334 ± 0.643 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.5 x 10-5 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.6 x 10-5 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.0 x 10-5 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.9 x 10-4 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.5 x 10-5 g / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 5.3 x 10-8 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.5 x 10-8 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 7.6 x 10-8 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.8 x 10-7 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 660.83 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 | 1.24 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 528.8 ± 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 | 13 | (1) ACD | |
| H Txais | 10 | (1) ACD | |
| H Pub | 2 | (1) ACD | |
| H Pub/Acceptor Sum | 12 | (1) ACD | |
| logP | 7.334 ± 0.643 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 660.83 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
![C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C31H32N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl] -2′-O-methyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
