2-[4-[(4-Aminophenyl)methyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;2-[4,7-bis(carboxylatomethyl)-10-[(4-methylsulfanylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-10-(2-methylperoxyethyl)-7-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-7-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

• 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-[4-[(4-Aminophenyl)methyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;2-[4,7-bis(carboxylatomethyl)-10-[(4-methylsulfanylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-10-(2-methylperoxyethyl)-7-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-7-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
• 英文别名: 2-[4-[(4-aminophenyl)methyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;2-[4,7-bis(carboxylatomethyl)-10-[(4-methylsulfanylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-10-(2-methylperoxyethyl)-7-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;methyl 2-[4-(2-methoxy-2-oxoethyl)-7-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
• 化学式: C106H167N22O30S-9
• 分子量: 2261.7
• InChiKey: MUAOAOPYODPNBC-UHFFFAOYSA-E

计算性质

• 辛醇/水分配系数(LogP)：
  -14.08
• 重原子数：
  159
• 可旋转键数：
  38
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  654
• 氢给体数：
  3
• 氢受体数：
  53