[(2R,5R)-3-[2-[2-[2-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxy-5-[5-[3-[6-[[4-carboxy-3-(3,6-dihydroxyanthracen-9-yl)benzoyl]amino]hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-dihydroxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanium

• 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,5R)-3-[2-[2-[2-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxy-5-[5-[3-[6-[[4-carboxy-3-(3,6-dihydroxyanthracen-9-yl)benzoyl]amino]hexylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-dihydroxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanium
• 化学式: C65H79N9O30P3+
• 分子量: 1559.3
• InChiKey: LZLMLDRTRGNGQR-LSPBHXDOSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  107
• 可旋转键数：
  37
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  551
• 氢给体数：
  14
• 氢受体数：
  30