chempirical

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

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+]
InChIKey
FOZMRLUCLYYVFL-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O12S4.4Na/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10;;;;/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28);;;;

Weigh it out

Type any one amount. The others follow from the molar mass.

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

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 Sodium 2,4-dimethylbenzenesulfonate827-21-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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