RefChem:579893

copper;5-acetamido-3-[[6-[[2-hydroxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonatonaphthalen-2-yl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate;hydron

Also Known As: Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-2,7-naphthalenedisulfonato(6-))-, tetrahydrogen|Copper, (1-hydroxy-2-((2-hydroxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-6-((1-hydroxy-8-acetylamino-3,6-disulfo-2-naphthalenyl)azo)-3-naphthalenesulfonato(2-))-|Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonato(6-))-, hydrogen (1:4)|Cuprate(4-), [5-(acetylamino)-4-hydroxy-3-[[5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]azo]-2,7-naphthalenedisulfonato(6-)]-, tetrahydrogen|Tetrahydrogen (5-acetamido-4-hydroxy-3-((5-hydroxy-6-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-7-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonato(6-))cuprate(4-)|Tetrahydrogen [5-acetamido-4-hydroxy-3-[[5-hydroxy-6-[[2-hydroxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-7-sulpho-2-naphthyl]azo]naphthalene-2,7-disulphonato(6-)]cuprate(4-)|271-186-0|Cuprate(4-), [5-(acetylamino)-4-hydroxy-3-[[5-hydroxy-6-[[2-hydroxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-7-sulfo-2-naphthalenyl]azo]-2,7-naphthalenedisulfonato(6-)]-, tetrahydrogen|Cuprate(4-), [5-(acetylamino)-4-hydroxy-3-[2-[5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-7-sulfo-2-naphthalenyl]diazenyl]-2,7-naphthalenedisulfonato(6-)]-, hydrogen (1:4)|Cuprate(4-), [5-(acetylamino)-4-hydroxy-3-[2-[5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-7-sulfo-2-naphthalenyl]diazenyl]-2,7-naphthalenedisulfonato(6-)]-, hydrogen (1:4)

Molecular Formula	C30H23CuN5O19S5
Molecular Weight	979.8887 g/mol
LogP	2.0453
Topological Polar Surface Area	459.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	23
Rotatable Bonds	9
Exact Mass	979.8887
Monoisotopic Mass	979.8887
Heavy Atoms	60
Complexity	2090.0

Chemical Identifiers

CAS Number	68516-98-3
SMILES	[H+].[H+].[H+].[H+].CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=CC4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Cu+2]
InChIKey	UMVLMDXFVTWBOP-UHFFFAOYSA-L