Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, heptasodium salt | 80441-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, heptasodium salt
• 英文别名: heptasodium;2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]-8-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
• CAS: 80441-75-4
• 化学式: C58H41N15Na7O24S4+7
• 分子量: 1621.2
• InChiKey: ZBRGMDIGKXCHBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.97
• 重原子数：
  108
• 可旋转键数：
  20
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  700
• 氢给体数：
  15
• 氢受体数：
  39