nonasodium;(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R,6R)-5-acetyloxy-2-carboxylato-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(sulfonatooxymethyl)oxolan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-acetyloxy-3,4-dihydroxyoxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: nonasodium;(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R,6R)-5-acetyloxy-2-carboxylato-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(sulfonatooxymethyl)oxolan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-4-hydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-acetyloxy-3,4-dihydroxyoxane-2-carboxylate
• 化学式: C42H55N2Na9O52S6
• 分子量: 1819.2
• InChiKey: RVLATAKVMWAMCL-ORYHYGHSSA-E

计算性质

• 辛醇/水分配系数(LogP)：
  -46.34
• 重原子数：
  111
• 可旋转键数：
  25
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  897
• 氢给体数：
  9
• 氢受体数：
  53