2-[2-[[4-Amino-2-[[2-[[3-aminooxy-2-[[5-(diaminomethylideneamino)-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]pentanoyl]amino]butanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]propanoylamino]-4-[3-[(3,4-dihydroxy-5-purin-7-yloxolan-2-yl)methoxy-hydroxyphosphoryl]oxypropylamino]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 2-[2-[[4-Amino-2-[[2-[[3-aminooxy-2-[[5-(diaminomethylideneamino)-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]pentanoyl]amino]butanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]propanoylamino]-4-[3-[(3,4-dihydroxy-5-purin-7-yloxolan-2-yl)methoxy-hydroxyphosphoryl]oxypropylamino]-4-oxobutanoic acid
• 英文别名: 2-[2-[[4-amino-2-[[2-[[3-aminooxy-2-[[5-(diaminomethylideneamino)-2-[(2-formamido-4-methylsulfanylbutanoyl)amino]pentanoyl]amino]butanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]propanoylamino]-4-[3-[(3,4-dihydroxy-5-purin-7-yloxolan-2-yl)methoxy-hydroxyphosphoryl]oxypropylamino]-4-oxobutanoic acid
• 化学式: C₄₂H₆₈N₁₇O₁₉PS
• 分子量: 1178.1
• InChiKey: FADUSUVPDLFLTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.2
• 重原子数：
  80
• 可旋转键数：
  36
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  587
• 氢给体数：
  16
• 氢受体数：
  25