HCID67197865

4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-bromoindol-1-yl)oxan-2-yl]methyl acetate

C22H24BrNO9526.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OC[C@H]1O[C@@H](n2ccc3c(Br)cccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: SKIAVWHXYVHGQC-QMCAAQAGSA-N
分子式: C22H24BrNO9
平均分子量: 526.3 g/mol
单同位素质量: 525.06344

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 119 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 10
重原子: 33
形式电荷: 0
复杂度: 762

ALIASES

名称与别名

共 4 条

SCHEMBL1879077SKIAVWHXYVHGQC-QMCAAQAGSA-N4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-gluco-pyranosyl)indole4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole

REACTIONS