RefChem:579896

copper;tetrasodium;7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate

Also Known As: Cuprate(4-), (8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)-4-((2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl)azo)phenyl)azo-kappaN1)-1,3,6-naphthalenetrisulfonato(6-))-, tetrasodium|Cuprate(4-), (8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-4-(2-(2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl-kappaN1)-1,3,6-naphthalenetrisulfonato(6-))-, sodium (1:4)|copper tetrasodium 7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate|Cuprate(4-), [8-(hydroxy-.kappa.O)-7-[[2-(hydroxy-.kappa.O)-4-[[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]azo]phenyl]azo-.kappa.N1]-1,3,6-naphthalenetrisulfonato(6-)]-, tetrasodium|Cuprate(4-), [8-(hydroxy-.kappa.O)-7-[2-[2-(hydroxy-.kappa.O)-4-[2-[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl-.kappa.N1]-1,3,6-naphthalenetrisulfonato(6-)]-, sodium (1:4)|Cuprate(4-), [8-(hydroxy-kappaO)-7-[2-[2-(hydroxy-kappaO)-4-[2-[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl-kappaN1]-1,3,6-naphthalenetrisulfonato(6-)]-, sodium (1:4)|Cuprate(4-), [8-hydroxy-7-[[2-hydroxy-4-[[2-methoxy-3-(4-pyrimidinylamino)-3-sulfophenyl]azo]phenyl]azo]-1,3,6-naphthalenetrisulfonato(6-)]-, tetrasodium|Tetrasodium (8-hydroxy-7-((2-hydroxy-4-((2-methoxy-3-(4-pyrimidinylamino)-3-sulphophenyl)azo)phenyl)azo)naphthalene-1,3,6-trisulphonato(6-))cuprate(4-)|Tetrasodium [8-hydroxy-7-[[2-hydroxy-4-[[2-methoxy-3-(4-pyrimidinylamino)-3-sulphophenyl]azo]phenyl]azo]naphthalene-1,3,6-trisulphonato(6-)]cuprate(4-)

Molecular Formula	C27H15CuN7Na4O15S4
Molecular Weight	959.8396 g/mol
LogP	-10.0101
Topological Polar Surface Area	405.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	22
Rotatable Bonds	7
Exact Mass	959.8396
Monoisotopic Mass	959.8396
Heavy Atoms	58
Complexity	1730.0

Chemical Identifiers

CAS Number	71735-64-3
SMILES	COC1=C(C=C(C=C1S(=O)(=O)[O-])NC2=NC=NC=C2)N=NC3=CC(=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
InChIKey	NYEYSTLGYBLPNG-UHFFFAOYSA-H