HCID10012449

Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylate

methyl 4-hydroxythiane-3-carboxylate

C7H12O3S176.24 g/molCAS 87206-45-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CSCCC1O
InChIKey: WCYCFRFETLXIJS-UHFFFAOYSA-N
分子式: C7H12O3S
平均分子量: 176.24 g/mol
单同位素质量: 176.05071541

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 71.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 149

ALIASES

名称与别名

共 8 条

87206-45-9Methyl 4-hydroxytetrahydro-2H-thiopyran-3-carboxylateSCHEMBL14593867WCYCFRFETLXIJS-UHFFFAOYSA-NDTXSID801192050DA-018511,2,4,5-Tetradeoxy-1,5-epithio-2-(methoxycarbonyl)pentitol1,5-Anhydro-2,4-dideoxy-2-(methoxycarbonyl)-1-thiopentitol

REACTIONS

相关反应

4 条

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

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

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09394282B2

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09394282B2

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