5'-[[4-[[4-[(1',2'-二氢-6'-羟基 -3,4'-二甲基-2'-氧代[1,3'-双吡啶 翁]-5'-基)偶氮]苯甲酰基]氨基]苯 基]偶氮]-1',2-二氢-6'-羟基-3,4'- 二甲基-2'-氧代-1,3'-双吡啶翁、2- 羟基丙酸(1:2)盐
1,3'-Bipyridinium, 5'-((4-((4-((1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)azo)benzoyl)amino)phenyl)azo)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, salt with 2-hydroxypropanoic acid (1:2) · CAS 75214-63-0
- 中文名
- 5'-[[4-[[4-[(1',2'-二氢-6'-羟基 -3,4'-二甲基-2'-氧代[1,3'-双吡啶 翁]-5'-基)偶氮]苯甲酰基]氨基]苯 基]偶氮]-1',2-二氢-6'-羟基-3,4'- 二甲基-2'-氧代-1,3'-双吡啶翁、2- 羟基丙酸(1:2)盐
- 中文别名
- 暂无
- 英文名
- 1,3'-Bipyridinium, 5'-((4-((4-((1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)azo)benzoyl)amino)phenyl)azo)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, salt with 2-hydroxypropanoic acid (1:2)
- CAS
- 75214-63-0
- CID
- 136252369
- IUPAC 名称
- 4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]-N-[4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]phenyl]benzamide;bis(2-hydroxypropanoate)
名称与编号
- 中文名
- 5'-[[4-[[4-[(1',2'-二氢-6'-羟基 -3,4'-二甲基-2'-氧代[1,3'-双吡啶 翁]-5'-基)偶氮]苯甲酰基]氨基]苯 基]偶氮]-1',2-二氢-6'-羟基-3,4'- 二甲基-2'-氧代-1,3'-双吡啶翁、2- 羟基丙酸(1:2)盐
- 中文别名
- 暂无
- 英文名
- 1,3'-Bipyridinium, 5'-((4-((4-((1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)azo)benzoyl)amino)phenyl)azo)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, salt with 2-hydroxypropanoic acid (1:2)
- CAS
- 75214-63-0
- CID
- 136252369
- IUPAC 名称
- 4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]-N-[4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]phenyl]benzamide;bis(2-hydroxypropanoate)
分子属性
- 分子式
- C43H43N9O11
- 分子量
- 861.9 g/mol
- 精确质量
- 861.30820322 Da
- 单同位素质量
- 861.30820322 Da
- XLogP
- 暂无
- 极性表面积
- 306 Ų
- 氢键供体
- 7
- 氢键受体
- 15
- 可旋转键
- 8
- 重原子数
- 63
- 净电荷
- 0
- 结构复杂度
- 1620
结构标识
- InChIKey
- QXKIWDJTIMETJH-UHFFFAOYSA-N
- SMILES
- CC1=C[N+](=CC=C1)C2=C(C(=C(NC2=O)O)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=C(NC(=O)C(=C5C)[N+]6=CC=CC(=C6)C)O)C.CC(C(=O)[O-])O.CC(C(=O)[O-])O
- InChI
- InChI=1S/C37H31N9O5.2C3H6O3/c1-21-7-5-17-45(19-21)31-23(3)29(34(48)39-36(31)50)43-41-27-11-9-25(10-12-27)33(47)38-26-13-15-28(16-14-26)42-44-30-24(4)32(37(51)40-35(30)49)46-18-6-8-22(2)20-46;2*1-2(4)3(5)6/h5-20H,1-4H3,(H3-2,38,39,40,41,42,43,44,47,48,49,50,51);2*2,4H,1H3,(H,5,6)