Iron(1+), bis(1-(5-((4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)azo)-1-(3-(dimethylamino)propyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)pyridiniumato(2-))-, salt with 2-hydroxypropanoic acid (1:1), bis(2-hydroxypropanoate) (salt) | 79135-27-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Iron(1+), bis(1-(5-((4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)azo)-1-(3-(dimethylamino)propyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)pyridiniumato(2-))-, salt with 2-hydroxypropanoic acid (1:1), bis(2-hydroxypropanoate) (salt)
• 英文别名: 2-[[1-[4-[[1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-5-pyridin-1-ium-1-ylpyridin-3-yl]diazenyl]phenyl]-3-methyl-5-oxopyrazol-4-id-4-yl]diazenyl]-4-nitrophenolate;2-hydroxypropanoate;2-hydroxypropanoic acid;iron(3+)
• CAS: 79135-27-6
• 化学式: C73H79FeN20O21
• 分子量: 1628.4
• InChiKey: CWYQEEIRDSGUJK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  115
• 可旋转键数：
  22
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  573
• 氢给体数：
  7
• 氢受体数：
  35