4-[[(2R,3S,5S)-3-acetamido-5-[(2S,3S,5S)-3-acetamido-5-[(2S,3R,5R)-4-[(2R,5S,6R)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[(2R,3S,5S)-3-acetamido-5-[(2S,3S,5S)-3-acetamido-5-[(2S,3R,5R)-4-[(2R,5S,6R)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
• 化学式: C₈₁H₁₂₀N₆O₅₀
• 分子量: 1977.8
• InChiKey: BURDDDNNYWGMTM-OVFZHLFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.7
• 重原子数：
  137
• 可旋转键数：
  37
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  864
• 氢给体数：
  31
• 氢受体数：
  50

文献信息

• US8809258B2
  申请人：——

  公开号：US8809258B2

  公开（公告）日：2014-08-19