5-[4-双(2-羟乙基)氨基-6-[5-羟基 -6-(4-甲氧基-2-磺酸苯基偶氮基)-7- 磺酸基-2-萘氨基]-1,3,5-三吖嗪-2- 氨基]-4-羟基-3-(2-磺酸苯基偶氮基)-2,7-萘二磺酸五钠盐

2,7-naphthalenedisulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt · CAS 82457-21-4

中文名: 5-[4-双(2-羟乙基)氨基-6-[5-羟基 -6-(4-甲氧基-2-磺酸苯基偶氮基)-7- 磺酸基-2-萘氨基]-1,3,5-三吖嗪-2- 氨基]-4-羟基-3-(2-磺酸苯基偶氮基)-2,7-萘二磺酸五钠盐
中文别名: 暂无
英文名: 2,7-naphthalenedisulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt
CAS: 82457-21-4
CID: 136138855
IUPAC 名称: pentasodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 5-[4-双(2-羟乙基)氨基-6-[5-羟基 -6-(4-甲氧基-2-磺酸苯基偶氮基)-7- 磺酸基-2-萘氨基]-1,3,5-三吖嗪-2- 氨基]-4-羟基-3-(2-磺酸苯基偶氮基)-2,7-萘二磺酸五钠盐
中文别名: 暂无
英文名: 2,7-naphthalenedisulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt
CAS: 82457-21-4
CID: 136138855
IUPAC 名称: pentasodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C40H31N10Na5O20S5
分子量: 1247 g/mol
精确质量: 1245.9808107 Da
单同位素质量: 1245.9808107 Da
XLogP: 暂无
极性表面积: 533 Å²
氢键供体: 6
氢键受体: 30
可旋转键: 14
重原子数: 80
净电荷: 0
结构复杂度: 2490

结构标识

InChIKey: KBRZPIPSKMUDCR-UHFFFAOYSA-I
SMILES: COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)N(CCO)CCO)NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=CC=CC=C7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5