uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09394329B2
查看![1-[(1S,2S,3S,4R,5S)-2,3,4-tribenzyloxy-5-[4-chloro-3[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-1-yl]propan-1-ol 分子结构式](/api/mol/118377793/svg/360x280.svg)
HCID118377793
1-[(1S,2S,3S,4R,5S)-2,3,4-tribenzyloxy-5-[4-chloro-3[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-1-yl]propan-1-ol
1-[(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]propan-1-ol
C45H47ClO7735.3 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOc1ccc(Cc2cc([C@]34OC[C@@](C(O)CC)(O3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]4OCc3ccccc3)ccc2Cl)cc1
- InChIKey
- XICCQRAIIUCKTH-PGASBZQESA-N
- 分子式
- C45H47ClO7
- 平均分子量
- 735.3 g/mol
- 单同位素质量
- 734.3010315
COMPUTED
结构计算性质
- XLogP
- 8.2
- 极性表面积
- 75.6 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 16
- 重原子
- 53
- 形式电荷
- 0
- 复杂度
- 1,070
ALIASES
名称与别名
SCHEMBL17091758XICCQRAIIUCKTH-PGASBZQESA-N1-[(1S,2S,3S,4R,5S)-2,3,4-tribenzyloxy-5-[4-chloro-3[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-1-yl]propan-1-ol
REACTIONS
参与反应
uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09394329B2
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