HCID86721298

3-[(3S,4R,6S)-3-amino-4-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]benzonitrile

3-[(3S,4R,6S)-3-amino-4-(hydroxymethyl)-6-methyloxan-3-yl]benzonitrile

C14H18N2O2246.3 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H]1C[C@@H](CO)[C@](N)(c2cccc(C#N)c2)CO1
InChIKey: KPTMYBWHXHNXJX-LEWSCRJBSA-N
分子式: C14H18N2O2
平均分子量: 246.3 g/mol
单同位素质量: 246.13682782

COMPUTED

结构计算性质

等待补全

XLogP: 0.9
极性表面积: 79.3 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 338

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL15768928KPTMYBWHXHNXJX-LEWSCRJBSA-N3-[(3S,4R,6S)-3-Amino-4-(hyd roxymethyl)-6-methyltetrahyd ro-2H-pyran-3-yl]benzonitrile3-[(3S,4R,6S)-3-amino-4-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]benzonitrile

REACTIONS

参与反应

6 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822456B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822456B2

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09198917B2

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09198917B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09045498B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09045498B2

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