HCID57099235

(2S,3S,5R)-2-hexyl-3-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]hexadecanoic acid

(2S,3S,5R)-2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid

C27H52O5456.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCCC[C@H](C[C@H](O)[C@H](CCCCCC)C(=O)O)OC1CCCCO1
InChIKey: REYXSTWBFWDURU-VHNWMKGBSA-N
分子式: C27H52O5
平均分子量: 456.7 g/mol
单同位素质量: 456.38147475

COMPUTED

结构计算性质

已同步

XLogP: 8.9
极性表面积: 76 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 21
重原子: 32
形式电荷: 0
复杂度: 442

ALIASES

名称与别名

共 4 条

SCHEMBL9457001REYXSTWBFWDURU-VHNWMKGBSA-N(2S,3S,5R)-2-hexyl-3-hydroxy-5-[(tetrahydro-2H -pyran-2-yl)oxy]hexadecanoic acid(2S,3S,5R)-2-hexyl-3-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]hexadecanoic acid

REACTIONS

参与反应

2 条

uspto-grants-1991_01 · 10.6084/m9.figshare.5104873.v1 · US04983746

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uspto-grants-1990_06 · 10.6084/m9.figshare.5104873.v1 · US04931463

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