Glycine, N-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-, monosodium salt
Glycine, N-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-, monosodium salt · CAS 24404-83-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Glycine, N-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-, monosodium salt
- CAS
- 24404-83-9
- CID
- 23688920
- IUPAC 名称
- sodium 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-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]acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Glycine, N-((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)-, monosodium salt
- CAS
- 24404-83-9
- CID
- 23688920
- IUPAC 名称
- sodium 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-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]acetate
分子属性
- 分子式
- C26H42NNaO4
- 分子量
- 455.6 g/mol
- 精确质量
- 455.3011531 Da
- 单同位素质量
- 455.3011531 Da
- XLogP
- 暂无
- 极性表面积
- 89.5 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 6
- 重原子数
- 32
- 净电荷
- 0
- 结构复杂度
- 701
结构标识
- InChIKey
- LQKBJAKZKFBLIB-NYTIRPLLSA-M
- SMILES
- C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C.[Na+]
- InChI
- InChI=1S/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19?,20-,21?,22?,25+,26-;/m1./s1