4-氨基-3-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺苯基]偶氮]-6-[(2,5-二磺苯基)偶氮]-5-羟基 -2,7-萘二磺酸钠钾盐

2,7-Naphthalenedisulfonic acid, 4-amino-3-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, potassium sodium salt · CAS 72828-70-7

中文名: 4-氨基-3-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺苯基]偶氮]-6-[(2,5-二磺苯基)偶氮]-5-羟基 -2,7-萘二磺酸钠钾盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, potassium sodium salt
CAS: 72828-70-7
CID: 135666622
IUPAC 名称: dipotassium;trisodium;4-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-6-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

名称与编号

中文名: 4-氨基-3-[[5-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-磺苯基]偶氮]-6-[(2,5-二磺苯基)偶氮]-5-羟基 -2,7-萘二磺酸钠钾盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, potassium sodium salt
CAS: 72828-70-7
CID: 135666622
IUPAC 名称: dipotassium;trisodium;4-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-6-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

分子属性

分子式: C26H12ClF2K2N8Na3O16S5
分子量: 1073.4 g/mol
精确质量: 1071.759862 Da
单同位素质量: 1071.759862 Da
XLogP: 暂无
极性表面积: 461 Å²
氢键供体: 3
氢键受体: 26
可旋转键: 6
重原子数: 63
净电荷: 0
结构复杂度: 2050

结构标识

InChIKey: KQDZEZVGTDJJON-UHFFFAOYSA-I
SMILES: C1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=C(C=C4C=C(C(=C(C4=C3N)O)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[K+].[K+]
InChI: InChI=1S/C26H17ClF2N8O16S5.2K.3Na/c27-19-24(28)32-26(29)33-25(19)31-10-1-3-14(55(42,43)44)12(7-10)34-36-21-16(57(48,49)50)5-9-6-17(58(51,52)53)22(23(38)18(9)20(21)30)37-35-13-8-11(54(39,40)41)2-4-15(13)56(45,46)47;;;;;/h1-8,38H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5