2-[[4-[2-[[18,36-Bis[3-[2-(2-hydroxyethoxy)ethylsulfamoyl]propylsulfonyl]-2,11,12,13,22,28,31,39,40,41-decazadecacyclo[30.6.1.110,14.123,30.03,11.04,9.013,21.015,20.024,29.033,38]hentetracontan-7-yl]sulfonylamino]ethylamino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic 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-[2-[[18,36-Bis[3-[2-(2-hydroxyethoxy)ethylsulfamoyl]propylsulfonyl]-2,11,12,13,22,28,31,39,40,41-decazadecacyclo[30.6.1.110,14.123,30.03,11.04,9.013,21.015,20.024,29.033,38]hentetracontan-7-yl]sulfonylamino]ethylamino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
• 英文别名: 2-[[4-[2-[[18,36-bis[3-[2-(2-hydroxyethoxy)ethylsulfamoyl]propylsulfonyl]-2,11,12,13,22,28,31,39,40,41-decazadecacyclo[30.6.1.110,14.123,30.03,11.04,9.013,21.015,20.024,29.033,38]hentetracontan-7-yl]sulfonylamino]ethylamino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
• 化学式: C₅₈H₁₀₁N₁₉O₂₀S₇
• 分子量: 1609.0
• InChiKey: FUHJQLWFIJNKSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.7
• 重原子数：
  104
• 可旋转键数：
  33
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  602
• 氢给体数：
  17
• 氢受体数：
  39