Sr-123781a | 232602-93-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Sr-123781a
• 英文别名: nonadecasodium;(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5S,6R)-2-carboxylato-6-[(2R,3R,4S,5S,6S)-4,6-dimethoxy-5-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6R)-3,4-disulfonatooxy-6-(sulfonatooxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
• CAS: 232602-93-6
• 化学式: C127H201Na19O134S17
• 分子量: 4854.0
• InChiKey: RRHHPXJSGSYSHW-ZURHXDBDSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -83.75
• 重原子数：
  297
• 可旋转键数：
  92
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  1920
• 氢给体数：
  0
• 氢受体数：
  134