Cuprate(4-), [4-amino-5-hydroxy-6-[2-[5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-7-sulfo-2-naphthalenyl]diazenyl]-1,3-naphthalenedisulfonato(6-)]-, hydrogen (1:4)
Basic information
- CAS
68516-99-4- Standard SMILES
Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc4c([O-])c(N=Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5O)c(S(=O)(=O)O)cc4c3)c([O-])c12.[Cu+2]- InChIKey
MANHGELTTRWUGB-UHFFFAOYSA-L- Molecular formula
- C28H21CuN5O18S5
- Average molar mass
- 939.4 g/mol
- Monoisotopic mass
- 937.878112
Names & identifiers
- Preferred name
- Cuprate(4-), [4-amino-5-hydroxy-6-[2-[5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-7-sulfo-2-naphthalenyl]diazenyl]-1,3-naphthalenedisulfonato(6-)]-, hydrogen (1:4)
- IUPAC
- copper 8-amino-2-[[6-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxido-7-sulfonaphthalen-2-yl]diazenyl]-5,7-disulfonaphthalen-1-olate
Names & synonyms
68516-99-4Cuprate(4-), (4-amino-5-hydroxy-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-1,3-naphthalenedisulfonato(6-))-, tetrahydrogenCuprate(4-), (4-amino-5-hydroxy-6-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-1,3-naphthalenedisulfonato(6-))-, hydrogen (1:4)DTXSID501341325Cuprate(4-), [4-amino-5-hydroxy-6-[2-[5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-7-sulfo-2-naphthalenyl]diazenyl]-1,3-naphthalenedisulfonato(6-)]-, hydrogen (1:4)Cuprate(4-), [4-amino-5-hydroxy-6-[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]-1,3-naphthalenedisulfonato(6-)]-, hydrogen (1:4)RefChem:579970DTXCID001770440MANHGELTTRWUGB-UHFFFAOYSA-LCuprate(4-), [4-amino-5-hydroxy-6-[[5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-7-sulfo-2-naphthalenyl]azo]-1,3-naphthalenedisulfonato(6-)]-, tetrahydrogen
Properties
Computed structural properties
- Topological polar surface area
- 445 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 12
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 2,030
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(4-), [4-amino-5-hydroxy-6-[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]-1,3-naphthalenedisulfonato(6-)]-, hydrogen (1:4): INACTIVE
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Compound notes
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