[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3aS,4R,7aS)-1,4-dihydroxy-10,11-dimethyl-6-oxo-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 黄素核苷酸
• 英文名称: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3aS,4R,7aS)-1,4-dihydroxy-10,11-dimethyl-6-oxo-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
• 英文别名: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-[(1S,4R)-4,17-dihydroxy-8,9-dimethyl-15-oxo-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7,9-trien-12-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate
• 化学式: C₃₀H₄₃N₉O₁₆P₂
• 分子量: 847.7
• InChiKey: JIPQJEPHOHUOJG-MBRHRGDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.1
• 重原子数：
  57
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  370
• 氢给体数：
  12
• 氢受体数：
  22