[[4-[[[[4-[[4-[4-[2-[[3-(1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoyl]amino]ethyl]phenoxy]-2,4,6,6-tetrakis[4-[[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]oxyphenyl]methyl-(phosphonomethyl)amino]methylphosphonic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [[4-[[[[4-[[4-[4-[2-[[3-(1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoyl]amino]ethyl]phenoxy]-2,4,6,6-tetrakis[4-[[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]oxyphenyl]methyl-(phosphonomethyl)amino]methylphosphonic acid
• 英文别名: [[4-[[[[4-[[4-[4-[2-[[3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoyl]amino]ethyl]phenoxy]-2,4,6,6-tetrakis[4-[[bis[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl-methylhydrazinylidene]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-trien-2-yl]oxy]phenyl]methylideneamino]-methylamino]-[4-[2-[bis(phosphonomethyl)amino]ethyl]phenoxy]phosphinothioyl]oxyphenyl]methyl-(phosphonomethyl)amino]methylphosphonic acid
• 化学式: C₁₆₃H₂₂₂N₂₆O₇₇P₂₈S₅
• 分子量: 4805.0
• InChiKey: FTURMGAJPZDQPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.7
• 重原子数：
  299
• 可旋转键数：
  121
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  1660
• 氢给体数：
  41
• 氢受体数：
  107