[2-[[5-[[2-[2,6-Bis[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoylamino]-6-[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoyl]amino]-6-oxo-6-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]hexyl]amino]-1-hydroxy-2-oxo-1-phosphonoethyl]phosphonic acid;[1-hydroxy-2,3-dioxo-3-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-phosphonopropyl]phosphonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [2-[[5-[[2-[2,6-Bis[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoylamino]-6-[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoyl]amino]-6-oxo-6-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]hexyl]amino]-1-hydroxy-2-oxo-1-phosphonoethyl]phosphonic acid;[1-hydroxy-2,3-dioxo-3-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-phosphonopropyl]phosphonic acid
• 英文别名: [2-[[5-[[2-[2,6-bis[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoylamino]-6-[(2-hydroxy-2,2-diphosphonoacetyl)amino]hexanoyl]amino]-6-oxo-6-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]hexyl]amino]-1-hydroxy-2-oxo-1-phosphonoethyl]phosphonic acid;[1-hydroxy-2,3-dioxo-3-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-phosphonopropyl]phosphonic acid
• 化学式: C53H106N8O54P10
• 分子量: 2029.2
• InChiKey: ZCHJTQQTXINBAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.81
• 重原子数：
  125
• 可旋转键数：
  69
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  1030
• 氢给体数：
  33
• 氢受体数：
  54