Tetrasodium 1,3,6,8-pyrenetetrasulfonate

C16H6Na4O12S4CAS 59572-10-0610.41 g/mol

Open in Covalent MOL file
O−SOOSO−OOSO−OOSO−OONa+Na+Na+Na+
Sulfonic acid

Properties

Molecular formula
C16H6Na4O12S4
Molar mass
610.41 g/mol
Exact mass
609.8333 Da
logP
0.05Crippen estimate
Polar surface area
217.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4

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
59572-10-0
SMILES
[O-]S(=O)(=O)c1cc(S([O-])(=O)=O)c2ccc3c(S([O-])(=O)=O)cc(S([O-])(=O)=O)c4ccc1c2c34.[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

3 names
  • 1,3,6,8-Pyrenetetrasulfonic acid, tetrasodium salt
  • 1,3,6,8-Pyrenetetrasulfonic acid, sodium salt (1:4)
  • Trasar 23299

Work with Tetrasodium 1,3,6,8-pyrenetetrasulfonate

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

Similar compounds

8-Aminopyrene-1,3,6-trisulfonic acid trisodium salt196504-57-177 % similar Pyranine6358-69-677 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-958 % similar Disodium 1,5-naphthalenedisulfonate1655-29-455 % similar Disodium 1,6-naphthalenedisulfonate1655-43-250 % similar Sodium 1-naphthalenesulfonate130-14-348 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-847 % similar Disodium m-benzenedisulfonate831-59-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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