nonasodium;(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4S,5R,6R)-5-acetyloxy-4-butanoyloxy-6-[(2R,3R,4S,5R,6R)-6-[(3S,4S,5R,6R)-4-butanoyloxy-6-[(2R,3R,4R,5R)-4-butanoyloxy-5-(hydroxymethyl)-2-(sulfonatooxymethyl)oxolan-3-yl]oxy-2-carboxylato-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-carboxylatooxan-3-yl]oxy-4-butanoyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-acetyloxy-4-butanoyloxy-3-hydroxyoxane-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-4-butanoyloxy-6-[(2R,3R,4S,5R,6R)-6-[(3S,4S,5R,6R)-4-butanoyloxy-6-[(2R,3R,4R,5R)-4-butanoyloxy-5-(hydroxymethyl)-2-(sulfonatooxymethyl)oxolan-3-yl]oxy-2-carboxylato-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-2-carboxylatooxan-3-yl]oxy-4-butanoyloxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-acetyloxy-4-butanoyloxy-3-hydroxyoxane-2-carboxylate
• 化学式: C62H85N2Na9O57S6
• 分子量: 2169.6
• InChiKey: GBHQGZOFLXVKLX-NVARNULBSA-E

计算性质

• 辛醇/水分配系数(LogP)：
  -39.59
• 重原子数：
  136
• 可旋转键数：
  45
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  927
• 氢给体数：
  4
• 氢受体数：
  58