(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1R)-2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
• 化学式: C₅₅H₁₀₀N₃O₄₇P
• 分子量: 1586.3
• InChiKey: WXPSNNWGURFVQF-VUMDQRISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -25.1
• 重原子数：
  106
• 可旋转键数：
  36
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  847
• 氢给体数：
  32
• 氢受体数：
  50