4-Amino-3-[[5-[[4-(4-carboxypyridin-1-ium-1-yl)-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[5-[[4-chloro-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

• 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: 4-Amino-3-[[5-[[4-(4-carboxypyridin-1-ium-1-yl)-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[5-[[4-chloro-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
• 英文别名: 4-amino-3-[[5-[[4-(4-carboxypyridin-1-ium-1-yl)-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[5-[[4-chloro-6-[2-(2-hydroxyethylsulfanyl)ethyl-methylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
• 化学式: C44H42ClN16O17S6-3
• 分子量: 1294.8
• InChiKey: UPEUODPKOSLEMT-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  84
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  595
• 氢给体数：
  7
• 氢受体数：
  34