Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)

C22H12N4Na4O14S4CAS 68504-35-8776.55 g/mol

Open in Covalent MOL file
O−SOONNHOHONNSO−OOSO−OOSO−OONa+Na+Na+Na+
AzoPhenolSulfonic acid

Properties

Molecular formula
C22H12N4Na4O14S4
Molar mass
776.55 g/mol
Exact mass
775.8824 Da
logP
2.55Crippen estimate
Polar surface area
307.4 Ų
H-bond donors / acceptors
6 / 14
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
68504-35-8
SMILES
[O-]S(=O)(=O)c1ccccc1N=Nc1c(O)c2c(O)c(N=Nc3ccccc3S([O-])(=O)=O)c(S([O-])(=O)=O)cc2cc1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

2 names
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:4)
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,6-bis[(2-sulfophenyl)azo]-, tetrasodium salt

Work with Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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