hexadecasodium;[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]hexan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate | 123072-47-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: hexadecasodium;[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]hexan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
• CAS: 123072-47-9
• 化学式: C33H46N2Na16O70S16
• 分子量: 2471.6
• InChiKey: QIEBJHZHSGPTLO-RHJKJSOWSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -65.71
• 重原子数：
  137
• 可旋转键数：
  42
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  1290
• 氢给体数：
  2
• 氢受体数：
  70