alpha-D-Galactopyranuronic acid, O-6-methyl-alpha-D-galactopyranuronosyl-(1a4)-O-6-methyl-I+/-lpha-D-galactopyranuronosyl-(1a4)-O-6-methyl-I+/-lpha-D-galactopyranuronosyl-(1a4)-, methyl ester | 53008-15-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: alpha-D-Galactopyranuronic acid, O-6-methyl-alpha-D-galactopyranuronosyl-(1a4)-O-6-methyl-I+/-lpha-D-galactopyranuronosyl-(1a4)-O-6-methyl-I+/-lpha-D-galactopyranuronosyl-(1a4)-, methyl ester
• 英文别名: methyl (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-6-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-methoxycarbonyl-6-[(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-2-methoxycarbonyloxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methoxycarbonyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
• CAS: 53008-15-4
• 化学式: C₂₈H₄₂O₂₅
• 分子量: 778.6
• InChiKey: PHKOCTCUZMQEOT-LRVJTQDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.7
• 重原子数：
  53
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  372
• 氢给体数：
  10
• 氢受体数：
  25