HCID15546931

tert-butyl (3RS,4RS,5SR)-3-hydroxy-5-hydroxymethyl-4-(4-hydroxy-phenyl)-piperidine-1-carboxylate

tert-butyl 3-hydroxy-5-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylate

C17H25NO5323.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CC(O)C(c2ccc(O)cc2)C(CO)C1
InChIKey: NOEXNEOTUMNCEO-UHFFFAOYSA-N
分子式: C17H25NO5
平均分子量: 323.4 g/mol
单同位素质量: 323.1732729

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 90.2 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 400

ALIASES

名称与别名

共 5 条

NOEXNEOTUMNCEO-UHFFFAOYSA-NDB-405131tert-butyl 3-hydroxy-5-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylate1146527-28-7tert-butyl (3RS,4RS,5SR)-3-hydroxy-5-hydroxymethyl-4-(4-hydroxy-phenyl)-piperidine-1-carboxylate

REACTIONS

参与反应

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-2000_04 · 10.6084/m9.figshare.5104873.v1 · US06051712

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uspto-grants-2000_11 · 10.6084/m9.figshare.5104873.v1 · US06150526

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