[2-[3-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propan-2-yl]-5-(6-aminopurin-9-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]propan-2-yl]oxy-[6-chloro-2-methoxy-9-(pentylamino)acridin-3-yl]phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate

• 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: [2-[3-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propan-2-yl]-5-(6-aminopurin-9-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]propan-2-yl]oxy-[6-chloro-2-methoxy-9-(pentylamino)acridin-3-yl]phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
• 化学式: C98H121ClN31O47P7
• 分子量: 2737.5
• InChiKey: YFVWKJVYFNKQPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  184
• 可旋转键数：
  45
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  1090
• 氢给体数：
  24
• 氢受体数：
  62