uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07795228B2
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HCID68789901
(2S,3R,4S,5R,6R)-2-allyl-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)-2-(4-chloro-5-(4-ethylbenzyl)-2-methoxyphenyl)tetrahydro-2H-pyran
(2S,3R,4S,5R,6R)-2-[4-chloro-5-[(4-ethylphenyl)methyl]-2-methoxyphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxane
C53H55ClO6823.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CC[C@@]1(c2cc(Cc3ccc(CC)cc3)c(Cl)cc2OC)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
- InChIKey
- GIBUBEVSVGPMDV-QJRWPOBASA-N
- 分子式
- C53H55ClO6
- 平均分子量
- 823.4 g/mol
- 单同位素质量
- 822.3687172
COMPUTED
结构计算性质
- XLogP
- 11.3
- 极性表面积
- 55.4 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 20
- 重原子
- 60
- 形式电荷
- 0
- 复杂度
- 1,190
ALIASES
名称与别名
SCHEMBL3793833GIBUBEVSVGPMDV-QJRWPOBASA-N(2S,3R,4S,5R,6R)-2-allyl-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)-2-(4-chloro-5-(4-ethylbenzyl)-2-methoxyphenyl)tetrahydro-2H-pyran
REACTIONS
参与反应
uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07795228B2
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