![C39H46FN4O8P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI) )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI) ) Featured duab](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI) )
CAS Registry Number
146954-75-8
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 748.78 ib | - |
| pKa (Predicted) | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
N#CCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@@ H](O1)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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18- 14-29) 30-15-19-32(48-6) 20-16-30/h7-9,11-21,23,26-27,33,35-37H, 10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChI Key
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Lwm Lub Npe rau Cov Khoom no
Uridine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramide] (9CI)
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Lipinski
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 457 ib | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3690 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2 7700 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8 2900 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.04 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.06 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.06 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.02 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 7 6200 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 22 000 | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Cov Khoom Muag Khoom Muag Khoom Muag |
| Koc 592 pH 1; Kub: 25 ° C (1) ACD |
| Koc 4790 pH 2; Kub: 25 ° C (1) ACD |
| Koc 36000 pH 3; Kub: 25 ° C (1) ACD |
| Koc 1.07 x 105 pH 4; Kub: 25 ° C (1) ACD |
| Koc 1.34 x 105 pH 5; Kub: 25 ° C (1) ACD |
| Koc 1.38 x 105 pH 6; Kub: 25 ° C (1) ACD |
| Koc 1.37 x 105 pH 7; Kub: 25 ° C (1) ACD |
| Koc 1.33 x 105 pH 8; Kub: 25 ° C (1) ACD |
| Koc 98800 pH 9; Kub: 25 ° C (1) ACD |
| Koc 28600 pH 10; Kub: 25 ° C (1) ACD |
| logD 4.55 pH 1; Kub: 25 ° C (1) ACD |
| logD 5.46 pH 2; Kub: 25 ° C (1) ACD |
| logD 6.33 pH 3; Kub: 25 ° C (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| logD | 6.81 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 6.91 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 6.92 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 6.92 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 6.90 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 6.77 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 6.23 | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 6.918 ± 0.641 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 2.2 x 10-5 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.1 x 10-3 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 6.3 x 10-4 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 8.2 x 10-5 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.8 x 10-5 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.2 x 10-5 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.2 x 10-5 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.2 x 10-5 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.2 x 10-5 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.0 x 10-5 g/L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.0 x 10-4 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.2 x 10-5 g / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 2.9 x 10-8 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 6.8 x 10-6 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 8.4 x 10-7 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-8 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.0 x 10-8 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-8 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-8 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.0 x 10-8 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.0 x 10-8 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-8 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molecular Luj | 748.78 ib | ||
| pKa | 9.39 ± 0.10 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 3.45 ± 0.70 | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 17 | (1) ACD | |
| H Txais | 12 | (1) ACD | |
| H Pub | 1 | (1) ACD | |
| H Pub/Acceptor Sum | 13 | (1) ACD | |
| logP | 6.918 ± 0.641 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 748.78 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Cov xwm txheej Source |
| Polar Surface Area | 145 A2 | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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