4-氨基-3,6-二[[5-[[4-氯-6-[(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2-磺苯基]偶氮]-5-羟基-2,7-萘二磺酸四钠盐

2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4) · CAS 85665-98-1

中文名: 4-氨基-3,6-二[[5-[[4-氯-6-[(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2-磺苯基]偶氮]-5-羟基-2,7-萘二磺酸四钠盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)
CAS: 85665-98-1
CID: 135853733
IUPAC 名称: tetrasodium;4-amino-3,6-bis[[5-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

名称与编号

中文名: 4-氨基-3,6-二[[5-[[4-氯-6-[(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2-磺苯基]偶氮]-5-羟基-2,7-萘二磺酸四钠盐
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[2-[5-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:4)
CAS: 85665-98-1
CID: 135853733
IUPAC 名称: tetrasodium;4-amino-3,6-bis[[5-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

分子属性

分子式: C32H25Cl2N15Na4O15S4
分子量: 1150.8 g/mol
精确质量: 1148.9505224 Da
单同位素质量: 1148.9505224 Da
XLogP: 暂无
极性表面积: 524 Å²
氢键供体: 8
氢键受体: 30
可旋转键: 14
重原子数: 72
净电荷: 0
结构复杂度: 2140

结构标识

InChIKey: UQCXKZQVPUKQFJ-UHFFFAOYSA-J
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCO)Cl)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)NC6=NC(=NC(=N6)NCCO)Cl)S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C32H29Cl2N15O15S4.4Na/c33-27-40-29(36-5-7-50)44-31(42-27)38-14-1-3-18(65(53,54)55)16(11-14)46-48-24-20(67(59,60)61)9-13-10-21(68(62,63)64)25(26(52)22(13)23(24)35)49-47-17-12-15(2-4-19(17)66(56,57)58)39-32-43-28(34)41-30(45-32)37-6-8-51;;;;/h1-4,9-12,50-52H,5-8,35H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,36,38,40,42,44)(H2,37,39,41,43,45);;;;/q;4*+1/p-4