uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06376672B1
查看![(3S,4R,5R)-4-[4-[3-(2-chloro-phenoxy)-propoxy]-phenyl]-3-[(4S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]-5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester 分子结构式](/api/mol/57315555/svg/360x280.svg)
HCID57315555
(3S,4R,5R)-4-[4-[3-(2-chloro-phenoxy)-propoxy]-phenyl]-3-[(4S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]-5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
tert-butyl (3S,4R,5R)-4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-5-hydroxypiperidine-1-carboxylate
C31H42ClNO8592.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](c2ccc(OCCCOc3ccccc3Cl)cc2)[C@H](OC[C@H]2COC(C)(C)O2)C1
- InChIKey
- SLLXPSMWJAIWSM-FRRISVFZSA-N
- 分子式
- C31H42ClNO8
- 平均分子量
- 592.1 g/mol
- 单同位素质量
- 591.259895
COMPUTED
结构计算性质
- XLogP
- 4.8
- 极性表面积
- 95.9 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 12
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 814
ALIASES
名称与别名
SCHEMBL1943494SLLXPSMWJAIWSM-FRRISVFZSA-N(3S,4R,5R)-4-[4-[3-(2-chloro-phenoxy)-propoxy]-phenyl]-3-[(4S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]-5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester(3S,4R,5R)-4-[4-[3-(2-chloro-phenoxy)-propoxy]-phenyl]-3-[(4S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy]5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
REACTIONS
参与反应
uspto-grants-2004_01 · 10.6084/m9.figshare.5104873.v1 · US06673931B2
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