5-Chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)

HCID 16721025CAS 64334-79-8

基本信息

标准SMILES: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1Cl
InChIKey: RBQXEHDSKLSKLJ-RRKCRQDMSA-N
分子式: C9H12ClN2O8P
平均分子量: 342.63 g/mol
单同位素质量: 342.00197965

名称与标识

首选名称: 5-Chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
IUPAC: [(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

名称与别名

64334-79-85-Chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)DTXSID10587357RefChem:302261DTXCID10538122CHEMBL1236538((2R,3S,5R)-5-(5-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphateSCHEMBL10383977BDBM500102395-chloro-2'-deoxyuridine 5'-phosphateQ27466857

数据库标识

CAS: 64334-79-8
PubChem CID: 16721025
DTXSID: DTXSID10587357
ChEMBL: CHEMBL1236538

性质

结构计算性质

XLogP: -2.4
极性表面积: 146 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 534

关联笔记

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