2-[4-[3-[4-[[4-(3-Aminopropylamino)-6-[4-[3-[4-(1-carboxylato-4-oxopentyl)-7-(1-carboxy-4-oxopentyl)-10-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-oxidopropyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]-1-carboxylatopropyl]-10-(1-hydroxy-4-oxopentyl)-7-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexanoate;formaldehyde

• 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-[3-[4-[[4-(3-Aminopropylamino)-6-[4-[3-[4-(1-carboxylato-4-oxopentyl)-7-(1-carboxy-4-oxopentyl)-10-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-oxidopropyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]-1-carboxylatopropyl]-10-(1-hydroxy-4-oxopentyl)-7-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexanoate;formaldehyde
• 英文别名: 2-[4-[3-[4-[[4-(3-aminopropylamino)-6-[4-[3-[4-(1-carboxylato-4-oxopentyl)-7-(1-carboxy-4-oxopentyl)-10-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-oxidopropyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]-1-carboxylatopropyl]-10-(1-hydroxy-4-oxopentyl)-7-(1-oxido-4-oxopentyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexanoate;formaldehyde
• 化学式: C78H119N15O22-6
• 分子量: 1618.9
• InChiKey: GOTBBPJERMXKHO-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -3.91
• 重原子数：
  115
• 可旋转键数：
  41
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  545
• 氢给体数：
  6
• 氢受体数：
  37