Phenolphthaleindibutyrate
Phenolphthaleindibutyrate · CAS 102029-73-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Phenolphthaleindibutyrate
- CAS
- 102029-73-2
- CID
- 181
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Phenolphthaleindibutyrate
- CAS
- 102029-73-2
- CID
- 181
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
分子属性
- 分子式
- C23H38N7O17P3S
- 分子量
- 809.6 g/mol
- 精确质量
- 809.12577494 Da
- 单同位素质量
- 809.12577494 Da
- XLogP
- -5.6
- 极性表面积
- 389 Ų
- 氢键供体
- 9
- 氢键受体
- 22
- 可旋转键
- 20
- 重原子数
- 51
- 净电荷
- 0
- 结构复杂度
- 1380
结构标识
- InChIKey
- ZSLZBFCDCINBPY-UHFFFAOYSA-N
- SMILES
- CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- InChI
- InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)