HCID52914280

(2S,3R,4R,5S,6R)-2-{4-chloro-3-[1-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-quinolin-6-ylmethyl]-phenyl}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C30H34ClNO6540 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CN2CCCc3cc(Cc4cc([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4Cl)ccc32)cc1
InChIKey: KQNDZYRBEHYEQA-RLXMVLCYSA-N
分子式: C30H34ClNO6
平均分子量: 540 g/mol
单同位素质量: 539.2074655

COMPUTED

结构计算性质

等待补全

XLogP: 4
极性表面积: 103 Å²
氢键供体: 4
氢键受体: 7
可旋转键: 7
重原子: 38
形式电荷: 0
复杂度: 738

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

SCHEMBL1669770USRE49080, Example 14KQNDZYRBEHYEQA-RLXMVLCYSA-NBDBM555246(2S,3R,4R,5S,6R)-2-{4-chloro-3-[1-(4-methoxy-benzyl)-1,2,3,4-tetrahydro-quinolin-6-ylmethyl]-phenyl}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

REACTIONS