uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08324179B2
查看![(6-Hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate 分子结构式](/api/mol/228800/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC1(C)OC2OC(COC(=O)c3ccccc3)C(O)C2O1
- InChIKey
- WKRBIHIDJVMVGS-UHFFFAOYSA-N
- 分子式
- C15H18O6
- 平均分子量
- 294.3 g/mol
- 单同位素质量
- 294.11033829
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 74.2 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 390
物化、安全与法规信息正在同步。
ALIASES
名称与别名
5-o-benzoyl-1,2-o-(1-methylethylidene)pentofuranose(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate6022-96-45-O-BENZOYL-1,2-O-ISOPROPYLIDENE-A-D-XYLOFURANOSE((3aS,5S,6R,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate166411-39-8NSC84317NCIOpen2_0071296893-72-7SCHEMBL13871568DTXSID30975636WKRBIHIDJVMVGS-UHFFFAOYSA-NNSC21930NSC-21930NSC-84317NSC102633NSC127670AKOS023600040NSC-102633NSC-127670
REACTIONS
参与反应