HRID397988
uspto-grants-2003_08
作为生成物
uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610665B1
查看条件与参与物HCID70022733
(2r,3r,4s,5s)-2-[2-Cyclopentylamino-6-(1-ethyl-propylamino)-purin-9-yl]-5-(3-ethyl-[1,2,4]oxadiazol-5-yl)-tetrahydro-furan-3,4-diol formate
(2R,3R,4S,5S)-2-[2-(cyclopentylamino)-6-(pentan-3-ylamino)purin-9-yl]-5-(3-ethyl-1,2,4-oxadiazol-5-yl)oxolane-3,4-diol;formic acid
C24H36N8O6532.6 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NC5CCCC5)nc43)[C@H](O)[C@@H]2O)n1.O=CO
- InChIKey
- IFHCQQQNKKDUMF-MJWSIIAUSA-N
- 分子式
- C24H36N8O6
- 平均分子量
- 532.6 g/mol
- 单同位素质量
- 532.2757809
COMPUTED
结构计算性质
- 极性表面积
- 194 Ų
- 氢键供体
- 5
- 氢键受体
- 13
- 可旋转键
- 9
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 694
ALIASES
名称与别名
SCHEMBL7211355IFHCQQQNKKDUMF-MJWSIIAUSA-N(2r,3r,4s,5s)-2-[2-cyclopentylamino-6-(1-ethyl-propylamino)-purin-9-yl]-5-(3-ethyl-[1,2,4]oxadiazol-5-yl)-tetrahydro-furan-3,4-diol formate
REACTIONS