(3aS,4S,6R,6aR)-6-(6-Chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
(3aS,4S,6R,6aR)-6-(6-Chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide · CAS 103201-21-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3aS,4S,6R,6aR)-6-(6-Chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
- CAS
- 103201-21-4
- CID
- 10021906
- IUPAC 名称
- (3aR,4R,6S,6aS)-4-(6-chloropurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3aS,4S,6R,6aR)-6-(6-Chloro-9H-purin-9-yl)-N-ethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
- CAS
- 103201-21-4
- CID
- 10021906
- IUPAC 名称
- (3aR,4R,6S,6aS)-4-(6-chloropurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
分子属性
- 分子式
- C15H18ClN5O4
- 分子量
- 367.79 g/mol
- 精确质量
- 367.1047318 Da
- 单同位素质量
- 367.1047318 Da
- XLogP
- 0.8
- 极性表面积
- 100 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 538
结构标识
- InChIKey
- AJHMLFKBKJLNPU-QOBXEIRBSA-N
- SMILES
- CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4Cl)OC(O2)(C)C
- InChI
- InChI=1S/C15H18ClN5O4/c1-4-17-13(22)9-8-10(25-15(2,3)24-8)14(23-9)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14H,4H2,1-3H3,(H,17,22)/t8-,9+,10-,14-/m1/s1