HCID453

Hexitol

hexane-1,2,3,4,5,6-hexol

C6H14O6182.17 g/molCAS 25878-23-3

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IDENTITY

结构与身份

标准SMILES: OCC(O)C(O)C(O)C(O)CO
InChIKey: FBPFZTCFMRRESA-UHFFFAOYSA-N
分子式: C6H14O6
平均分子量: 182.17 g/mol
单同位素质量: 182.07903816

COMPUTED

结构计算性质

等待补全

XLogP: -3.1
极性表面积: 121 Å²
氢键供体: 6
氢键受体: 6
可旋转键: 5
重原子: 12
形式电荷: 0
复杂度: 105

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 105 条

Hexitol45007-61-2RefChem:922939GlyTouCan:G78453GCCHEBI:24583G78453GChexane-1,2,3,4,5,6-hexolhexane-1,2,3,4,5,6-hexaolC6H14O6D-Glucitol-2-dD-Sorbitol-UL-14CSORBITOL, (D)D-Sorbitol-1-13CFibrinogen fraction 1(from bovine plasma)HexahydroxyhexaneNSC1944NSC9256ResulaxSorbilaxSorbitur

REACTIONS

相关反应

24 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06315467B1

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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