Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![2-[2-(Aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol 分子结构式](/api/mol/18348423/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CN)nc32)C(O)C1O
- InChIKey
- RWRMJCVKEZQLAA-UHFFFAOYSA-N
- 分子式
- C26H30N6O4
- 平均分子量
- 490.6 g/mol
- 单同位素质量
- 490.23285346
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 141 Ų
- 氢键供体
- 4
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 661
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL5695147L019689
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看