5-(methoxycarbonyl)pentyl 2,4-bis-O-<(5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosic acid)-yl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-β-D-galactopyranoside | 134906-94-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(methoxycarbonyl)pentyl 2,4-bis-O-<(5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosic acid)-yl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl>-β-D-galactopyranoside
• 英文别名: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-(6-methoxy-6-oxohexoxy)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• CAS: 134906-94-8
• 化学式: C₆₃H₁₀₄N₄O₄₄
• 分子量: 1621.52
• InChiKey: RIEHQGGFUYRKEZ-HEEJRHCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.2
• 重原子数：
  111
• 可旋转键数：
  37
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  751
• 氢给体数：
  26
• 氢受体数：
  44