(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol · CAS 52049-48-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
- CAS
- 52049-48-6
- CID
- 161517
- IUPAC 名称
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
- CAS
- 52049-48-6
- CID
- 161517
- IUPAC 名称
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
分子属性
- 分子式
- C16H23N5O5S
- 分子量
- 397.5 g/mol
- 精确质量
- 397.14199002 Da
- 单同位素质量
- 397.14199002 Da
- XLogP
- 0.7
- 极性表面积
- 171 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 7
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 529
结构标识
- InChIKey
- QEWSGVMSLPHELX-SDBHATRESA-N
- SMILES
- CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO
- InChI
- InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1