2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic 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
• 英文名称: 2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
• 英文别名: 2-[[4-[[2-amino-5-[[1-[(2R,4S,5R)-5-(dihydroxyphosphanyloxymethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-3,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
• 化学式: C₃₀H₃₇N₈O₁₃P
• 分子量: 748.6
• InChiKey: QDKOGILRNIBHOV-WMGAJAHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  315
• 氢给体数：
  10
• 氢受体数：
  15