(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[10-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2,4-trioxo-2lambda6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[10-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2,4-trioxo-2lambda6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;chloride
• 英文别名: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[10-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2,4-trioxo-2λ6-thia-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;chloride
• 化学式: C33H41ClN4O8S
• 分子量: 689.2
• InChiKey: QHEOICYSXWYZHY-JVMIBGIBSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.56
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  164
• 氢给体数：
  2
• 氢受体数：
  9