磺化-3-[(3-氯酰胺丙基)二甲铵]-1- 丙烷
3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate · CAS 75621-03-3
- 中文名
- 磺化-3-[(3-氯酰胺丙基)二甲铵]-1- 丙烷
- 中文别名
- 暂无
- 英文名
- 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
- CAS
- 75621-03-3
- CID
- 107670
- IUPAC 名称
- 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate
名称与编号
- 中文名
- 磺化-3-[(3-氯酰胺丙基)二甲铵]-1- 丙烷
- 中文别名
- 暂无
- 英文名
- 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
- CAS
- 75621-03-3
- CID
- 107670
- IUPAC 名称
- 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate
分子属性
- 分子式
- C32H58N2O7S
- 分子量
- 614.9 g/mol
- 精确质量
- 614.39647337 Da
- 单同位素质量
- 614.39647337 Da
- XLogP
- 2.9
- 极性表面积
- 155 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 11
- 重原子数
- 42
- 净电荷
- 0
- 结构复杂度
- 1030
结构标识
- InChIKey
- UMCMPZBLKLEWAF-BCTGSCMUSA-N
- SMILES
- C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
- InChI
- InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1