[7-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-4-羟基-3-[(2-羟基-4,7-二磺基 -1-萘基)偶氮]-1,5-萘二磺酸合(6-)] 铜酸(4-)四钾盐

Cuprate(4-), [7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4,7-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato(6-)]-, potassium (1:4) · CAS 71735-60-9

中文名: [7-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-4-羟基-3-[(2-羟基-4,7-二磺基 -1-萘基)偶氮]-1,5-萘二磺酸合(6-)] 铜酸(4-)四钾盐
中文别名: 暂无
英文名: Cuprate(4-), [7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4,7-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato(6-)]-, potassium (1:4)
CAS: 71735-60-9
CID: 165361109
IUPAC 名称: copper;tetrapotassium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-oxido-3-[(2-oxido-4,7-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate

名称与编号

中文名: [7-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-4-羟基-3-[(2-羟基-4,7-二磺基 -1-萘基)偶氮]-1,5-萘二磺酸合(6-)] 铜酸(4-)四钾盐
中文别名: 暂无
英文名: Cuprate(4-), [7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4,7-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato(6-)]-, potassium (1:4)
CAS: 71735-60-9
CID: 165361109
IUPAC 名称: copper;tetrapotassium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-oxido-3-[(2-oxido-4,7-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonate

分子属性

分子式: C24H8ClCuF2K4N5O14S4
分子量: 1012 g/mol
精确质量: 1009.645142 Da
单同位素质量: 1009.645142 Da
XLogP: 暂无
极性表面积: 371 Å²
氢键供体: 1
氢键受体: 21
可旋转键: 2
重原子数: 55
净电荷: 0
结构复杂度: 1680

结构标识

InChIKey: IQUMNWYPKSETDF-UHFFFAOYSA-H
SMILES: C1=CC2=C(C=C(C(=C2C=C1S(=O)(=O)[O-])N=NC3=CC(=C4C=C(C=C(C4=C3[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[Cu+2]
InChI: InChI=1S/C24H14ClF2N5O14S4.Cu.4K/c25-19-22(26)29-24(27)30-23(19)28-8-3-12-15(48(38,39)40)6-13(21(34)18(12)17(4-8)50(44,45)46)31-32-20-11-5-9(47(35,36)37)1-2-10(11)16(7-14(20)33)49(41,42)43;;;;;/h1-7,33-34H,(H,28,29,30)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;;/q;+2;4*+1/p-6