[(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-Chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
[(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-Chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate · CAS 54887-31-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-Chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
- CAS
- 54887-31-9
- CID
- 71314909
- IUPAC 名称
- [(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-Chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
- CAS
- 54887-31-9
- CID
- 71314909
- IUPAC 名称
- [(2R,3R,4S,5R,6R)-6-[(1S,2R)-2-chloro-1-[[(2S,4R)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
分子属性
- 分子式
- C17H32ClN2O8PS
- 分子量
- 490.9 g/mol
- 精确质量
- 490.1305518 Da
- 单同位素质量
- 490.1305518 Da
- XLogP
- -1.8
- 极性表面积
- 174 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 8
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 643
结构标识
- InChIKey
- GOTDPKVMVWZIIW-UOEFBAOHSA-N
- SMILES
- CC[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)OP(=O)(O)O)O)O)[C@@H](C)Cl
- InChI
- InChI=1S/C17H32ClN2O8PS/c1-5-9-6-10(20(3)7-9)16(23)19-11(8(2)18)14-12(21)13(22)15(17(27-14)30-4)28-29(24,25)26/h8-15,17,21-22H,5-7H2,1-4H3,(H,19,23)(H2,24,25,26)/t8-,9-,10+,11-,12-,13+,14-,15-,17-/m1/s1