[(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-Chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate
[(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-Chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate · CAS 28708-34-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-Chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate
- CAS
- 28708-34-1
- CID
- 71314905
- IUPAC 名称
- [(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-Chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate
- CAS
- 28708-34-1
- CID
- 71314905
- IUPAC 名称
- [(2R,3S,4S,5R,6R)-2-[(1S,2R)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyloxan-4-yl] dihydrogen phosphate
分子属性
- 分子式
- C18H34ClN2O8PS
- 分子量
- 505 g/mol
- 精确质量
- 504.1462019 Da
- 单同位素质量
- 504.1462019 Da
- XLogP
- -1.2
- 极性表面积
- 174 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 9
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 658
结构标识
- InChIKey
- ZMGZEXFHZBYORP-SUXZLHENSA-N
- SMILES
- CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)OP(=O)(O)O)O)[C@@H](C)Cl
- InChI
- InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)16(29-30(25,26)27)14(23)18(28-15)31-4/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10-,11+,12-,13+,14-,15-,16+,18-/m1/s1