Cobomarsen | 1848257-52-2

• 分子结构分类: 有机化合物 - 有机聚合物
• 英文名称: Cobomarsen
• 英文别名: 1-[(1R,3R,4R,7S)-1-[[[(1R,3R,4R,7S)-1-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,3R,4R,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[(2R,3S,5R)-2-[[[(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-[[(2R,3S,5R)-3-[[(1R,3R,4R,7S)-3-(2-amino-6-oxo-1H-purin-9-yl)-7-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(1R,3R,4R,7S)-3-(6-aminopurin-9-yl)-7-[[(1R,3R,4R,7S)-7-[[(1R,3R,4R,7S)-7-[[(1R,3R,4R,7S)-3-(6-aminopurin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
• CAS: 1848257-52-2
• 化学式: C₁₄₈H₁₇₇N₅₂O₇₇P₁₃S₁₃
• 分子量: 4736.0
• InChiKey: NNUHKSNTEOVPHV-XHZCTNOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.4
• 重原子数：
  303
• 可旋转键数：
  80
• 环数：
  44.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  2070
• 氢给体数：
  31
• 氢受体数：
  114