5-[[5-[[4-[[2-[2-(乙烯基磺基)乙氧基]乙基]氨基]-6-氟代-1,3,5-三嗪 -2-基]氨基]-1,2-磺苯基]偶氮]-1-乙基-1,2-二氢化-6-羟基-4-甲基-2-氧代-3-吡啶甲磺酸二钠

3-Pyridinemethanesulfonic acid, 5-(2-(5-((4-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2) · CAS 111850-27-2

中文名: 5-[[5-[[4-[[2-[2-(乙烯基磺基)乙氧基]乙基]氨基]-6-氟代-1,3,5-三嗪 -2-基]氨基]-1,2-磺苯基]偶氮]-1-乙基-1,2-二氢化-6-羟基-4-甲基-2-氧代-3-吡啶甲磺酸二钠
中文别名: 暂无
英文名: 3-Pyridinemethanesulfonic acid, 5-(2-(5-((4-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)
CAS: 111850-27-2
CID: 155926054
IUPAC 名称: disodium;4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate

名称与编号

中文名: 5-[[5-[[4-[[2-[2-(乙烯基磺基)乙氧基]乙基]氨基]-6-氟代-1,3,5-三嗪 -2-基]氨基]-1,2-磺苯基]偶氮]-1-乙基-1,2-二氢化-6-羟基-4-甲基-2-氧代-3-吡啶甲磺酸二钠
中文别名: 暂无
英文名: 3-Pyridinemethanesulfonic acid, 5-(2-(5-((4-((2-(2-(ethenylsulfonyl)ethoxy)ethyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)
CAS: 111850-27-2
CID: 155926054
IUPAC 名称: disodium;4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate

分子属性

分子式: C24H27FN8Na2O11S3
分子量: 764.7 g/mol
精确质量: 764.07408395 Da
单同位素质量: 764.07408395 Da
XLogP: 暂无
极性表面积: 311 Å²
氢键供体: 3
氢键受体: 19
可旋转键: 14
重原子数: 49
净电荷: 0
结构复杂度: 1540

结构标识

InChIKey: MYUXRACHGAMLKW-UHFFFAOYSA-L
SMILES: CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NCCOCCS(=O)(=O)C=C)F)S(=O)(=O)[O-])C)CS(=O)(=O)[O-])O.[Na+].[Na+]
InChI: InChI=1S/C24H29FN8O11S3.2Na/c1-4-33-20(34)16(13-46(38,39)40)14(3)19(21(33)35)32-31-17-12-15(6-7-18(17)47(41,42)43)27-24-29-22(25)28-23(30-24)26-8-9-44-10-11-45(36,37)5-2;;/h5-7,12,34H,2,4,8-11,13H2,1,3H3,(H,38,39,40)(H,41,42,43)(H2,26,27,28,29,30);;/q;2*+1/p-2