Tetrasodium 2-((2-amino-6-((4-((4-((3-carboxylato-4-hydroxyphenyl)azo)-7-sulphonato-1-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-5-hydroxy-7-sulphonato-1-naphthyl)azo)-5-nitrobenzoate | 6409-86-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Tetrasodium 2-((2-amino-6-((4-((4-((3-carboxylato-4-hydroxyphenyl)azo)-7-sulphonato-1-naphthyl)azo)-2,5-dimethoxyphenyl)azo)-5-hydroxy-7-sulphonato-1-naphthyl)azo)-5-nitrobenzoate
• 英文别名: tetrasodium;5-[[4-[[4-[[6-amino-5-[[2,3-bis[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-5-hydroxy-7-sulfonatonaphthalen-1-yl]diazenyl]-5-[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-5-hydroxy-7-sulfonatonaphthalen-1-yl]diazenyl]oxycarbonyl-4-nitrophenyl]diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate
• CAS: 6409-86-5
• 化学式: C147H93N37Na4O52S8-8
• 分子量: 3558.0
• InChiKey: APDAUVZIUBBONW-UHFFFAOYSA-B

计算性质

• 辛醇/水分配系数(LogP)：
  17.65
• 重原子数：
  248
• 可旋转键数：
  42
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  1490
• 氢给体数：
  12
• 氢受体数：
  88