2-[2-[2-[3-Acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-(1-carboxyethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 2-[2-[2-[3-Acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-(1-carboxyethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
• 英文别名: 2-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-(1-carboxyethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C₃₇H₆₀N₈O₂₅P₂
• 分子量: 1078.9
• InChiKey: FOEDSVRZGQIXSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.1
• 重原子数：
  72
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  506
• 氢给体数：
  15
• 氢受体数：
  26