![C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI) Featured duab](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 548.56 ib | - |
| Melting Point (Kev sim) | 118-120 ° C | - |
| Density (Tswv Ntuj) | 1.38 ± 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)C2F
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2) 15-11-21) 39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- , 27-,28-/m1/s1
InChI Key
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Lwm Lub Npe rau Cov Khoom no
5'-O-[Bis (4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluorouridine (ACI)
Cov khoom muaj
Kub
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Melting Point | 118-120 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra muaj
1 H NMR
13 C NMR
| 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 | ib 3580 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3580 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3580 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3580 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3580 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3580 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3570 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3430 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2500 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 689 ib | 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 | 12200 Nws | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 12200 Nws | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 12200 Nws | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 12200 Nws | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 12200 Nws | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 12200 Nws | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 12 100 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 11700 Nws | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | ib 8480 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 2340 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 4.98 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 4.96 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 4.82 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 4.26 | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 4.979 ± 0.563 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 9.9 x 10-5 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 9.9 x 10-5 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.4 x 10-4 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.0 x 10-4 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Loj Solubility | 9.9 x 10-5 g / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.8 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 9.2 x 10-7 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 548.56 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 | 1.38 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 395.8 ± 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 | 10 | (1) ACD | |
| H Txais | 9 | (1) ACD | |
| H Pub | 2 | (1) ACD | |
| H Pub/Acceptor Sum | 11 | (1) ACD | |
| logP | 4.979 ± 0.563 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 548.56 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 | 107 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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