Cenersen | 415168-49-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: Cenersen
• 英文别名: 1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(6-aminopurin-9-yl)-2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[5-(2-hydroxy-4-iminopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[3-[[3-[[3-[[3-[[3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy]phosphinothioyl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-4-hydroxy-5-methylpyrimidin-2-one
• CAS: 415168-49-9
• 化学式: C₁₉₅H₂₅₃N₆₆O₁₀₆P₁₉S₁₉
• 分子量: 6415.0
• InChiKey: UTNSIDJKCKLZLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.3
• 重原子数：
  405
• 可旋转键数：
  119
• 环数：
  46.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  2840
• 氢给体数：
  45
• 氢受体数：
  141