2-[4,7-Bis(carboxymethyl)-10-[2-[2-[2-[2-[(3-diphenylphosphanyl-4-methoxycarbonylbenzoyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;methyl 4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2-diphenylphosphanylbenzoate;methyl 2-diphenylphosphanyl-4-[2-[2-[2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoate;2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4,7-Bis(carboxymethyl)-10-[2-[2-[2-[2-[(3-diphenylphosphanyl-4-methoxycarbonylbenzoyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;methyl 4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2-diphenylphosphanylbenzoate;methyl 2-diphenylphosphanyl-4-[2-[2-[2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoate;2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetic acid
• 英文别名: 2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[(3-diphenylphosphanyl-4-methoxycarbonylbenzoyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;methyl 4-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoyl]-2-diphenylphosphanylbenzoate;methyl 2-diphenylphosphanyl-4-[2-[2-[2-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoate;2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetic acid
• 化学式: C129H185N18O25P3
• 分子量: 2480.9
• InChiKey: FZELPFLCXFHKPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  175
• 可旋转键数：
  62
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  494
• 氢给体数：
  10
• 氢受体数：
  38