HCID469424

(2R,3R,4S,5R)-2-(5,6-dibromo-2-chloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

(2R,3R,4S,5R)-2-(5,6-dibromo-2-chlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C12H11Br2ClN2O4442.49 g/mol

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IDENTITY

结构与身份

标准SMILES: OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Br)c(Br)cc32)[C@H](O)[C@@H]1O
InChIKey: HPWYFUNPKRVJJO-GWOFURMSSA-N
分子式: C12H11Br2ClN2O4
平均分子量: 442.49 g/mol
单同位素质量: 439.87741

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 87.7 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 2
重原子: 21
形式电荷: 0
复杂度: 396

ALIASES

名称与别名

共 5 条

SCHEMBL8189597HPWYFUNPKRVJJO-GWOFURMSSA-N2-chloro-5,6-dibromo-1-(beta-D-ribofuranosyl)benzimidazole5,6-Dibromo-2-chloro-1-.beta.-D-ribofuranosylbenzimidazole(2R,3R,4S,5R)-2-(5,6-dibromo-2-chloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

REACTIONS

参与反应

1 条

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646125

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