HRID136030
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- COC(=O)C(Cc1ccc2c(c1)OC(C)(C)O2)C(=O)OC(C)(C)C
- InChIKey
- ZKFNWWUWXMHSRC-UHFFFAOYSA-N
- 分子式
- C18H24O6
- 平均分子量
- 336.4 g/mol
- 单同位素质量
- 336.15728848
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 71.1 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 478
ALIASES
名称与别名
SCHEMBL1797029
REACTIONS
参与反应
HRID701566
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1146347
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物