methyl 2-[[(2R,3S,4S,5R,6R)-6-[[[(3S,4S,5R,6R)-6-[[[(3S,4S,5R,6R)-6-[(tert-butoxycarbonylamino)methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]-3-phenyl-propanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-[[(2R,3S,4S,5R,6R)-6-[[[(3S,4S,5R,6R)-6-[[[(3S,4S,5R,6R)-6-[(tert-butoxycarbonylamino)methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]methyl]-3,4,5-trisulfooxy-tetrahydropyran-2-carbonyl]amino]-3-phenyl-propanoate
• 英文别名: nonasodium;[(2R,3S,4S,5R,6R)-2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-6-[[[(3S,4S,5R,6R)-6-[[[(3S,4S,5R,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4,5-trisulfonatooxyoxane-2-carbonyl]amino]methyl]-3,4,5-trisulfonatooxyoxane-2-carbonyl]amino]methyl]-3,5-disulfonatooxyoxan-4-yl] sulfate
• 化学式: C36H45N4Na9O46S9
• 分子量: 1765.3
• InChiKey: HHYCHWIVWMSXPD-DMPVVUQVSA-E

计算性质

• 辛醇/水分配系数(LogP)：
  -38.41
• 重原子数：
  104
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  853
• 氢给体数：
  4
• 氢受体数：
  46