[(2R,3S,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphanyloxymethyl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-N-[(2S)-1-[[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxycyclohexa-1,3-dien-1-yl)-1-oxopropan-2-yl]phosphonamidic 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: [(2R,3S,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphanyloxymethyl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-N-[(2S)-1-[[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxycyclohexa-1,3-dien-1-yl)-1-oxopropan-2-yl]phosphonamidic acid
• 化学式: C₅₀H₆₈N₁₈O₂₆P₄
• 分子量: 1461.1
• InChiKey: DZVSRVIRPNLWCM-FJYYUCQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.2
• 重原子数：
  98
• 可旋转键数：
  28
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  610
• 氢给体数：
  14
• 氢受体数：
  35