RefChem:220055

hexasodium;2-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate

Also Known As: 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6)|1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)|1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt|Hexasodium 2-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(4-{2-[4-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]ethen-1-yl}-3-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonate

Molecular Formula	C42H40N14Na6O22S6
Molecular Weight	1422.0153 g/mol
LogP	-20.0
Topological Polar Surface Area	601.78 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	34
Rotatable Bonds	28
Exact Mass	1422.0153
Heavy Atoms	90
Complexity	4055.8

Chemical Identifiers

CAS Number	67906-33-6
SMILES	C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCC(=O)N)CCO)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]