(3Ar,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
(3Ar,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide · CAS 162936-24-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3Ar,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
- CAS
- 162936-24-5
- CID
- 9982327
- IUPAC 名称
- (3aR,4R,6S,6aS)-4-(6-amino-2-iodopurin-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
- (3Ar,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
- CAS
- 162936-24-5
- CID
- 9982327
- IUPAC 名称
- (3aR,4R,6S,6aS)-4-(6-amino-2-iodopurin-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
- C15H19IN6O4
- 分子量
- 474.25 g/mol
- 精确质量
- 474.05125 Da
- 单同位素质量
- 474.05125 Da
- XLogP
- 0.2
- 极性表面积
- 126 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 3
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 568
结构标识
- InChIKey
- SRBUDLXECXRPCA-LOKDSWTASA-N
- SMILES
- CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=C(N=C43)I)N)OC(O2)(C)C
- InChI
- InChI=1S/C15H19IN6O4/c1-4-18-12(23)8-7-9(26-15(2,3)25-7)13(24-8)22-5-19-6-10(17)20-14(16)21-11(6)22/h5,7-9,13H,4H2,1-3H3,(H,18,23)(H2,17,20,21)/t7-,8+,9-,13-/m1/s1