(2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-hexanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-hexanoic acid
• 英文别名: (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoic acid
• 化学式: C₃₄H₅₅N₇O₂₄P₂
• 分子量: 1007.8
• InChiKey: RLNOPSGEZLGFAH-OCMBHFTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.9
• 重原子数：
  67
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  477
• 氢给体数：
  14
• 氢受体数：
  25