Tetrasodium meso-tetra(4-sulfonatophenyl)porphine

C44H26N4Na4O12S4CAS 39050-26-51022.91 g/mol

Open in Covalent MOL file
O−SOONSO−OONHSO−OONSO−OONHNa+Na+Na+Na+
AlkeneSulfonic acid

Properties

Molecular formula
C44H26N4Na4O12S4
Molar mass
1022.91 g/mol
Exact mass
1022.0021 Da
logP
6.79Crippen estimate
Polar surface area
274.8 Ų
H-bond donors / acceptors
6 / 10
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
39050-26-5
SMILES
[O-]S(=O)(=O)c1ccc(-c2c3C=Cc(n3)c(-c3ccc(S([O-])(=O)=O)cc3)c3ccc([nH]3)c(-c3ccc(S([O-])(=O)=O)cc3)c3C=Cc(n3)c(-c3ccc(S([O-])(=O)=O)cc3)c3ccc2[nH]3)cc1.[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

14 names · show all
  • Benzenesulfonic acid, 4,4′,4′′,4′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, sodium salt (1:4)
  • Benzenesulfonic acid, 4,4′,4′′,4′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, tetrasodium salt
  • meso-Tetrakis(p-sulfophenyl)porphine tetrasodium salt
  • Tetrasodium 5,10,15,20-tetra(4-sulfonatophenyl)porphine
  • Tetrasodium 5,10,15,20-tetra(4-sulfonatophenyl)porphin
  • Tetrasodium meso-tetra(sulfophenyl)porphyrinate
  • 5,10,15,20-Tetrakis(4-sulfophenyl)-21H,23H-porphine
  • meso-Tetrakis(4-sulfophenyl)porphyrin tetrasodium salt
  • 5,10,15,20-Tetraphenyl-21H,23H-porphine-p,p′,p′′,p′′′-tetrasulfonic acid tetrasodium salt
  • meso-Tetra(4-sulfonatophenyl)porphyrin sodium salt
  • 5,10,15,20-Tetrakis(sodium 4-sulfonatophenyl)-21H,23H-porphyrin
  • Tetrasodium 5,10,15,20-tetrakis(4-sulfophenyl)porphyrin
  • Tetrasodium 5,10,15,20-Tetrakis(4-sulfonatophenyl)porphyrin
  • TSPP tetrasodium salt

Work with Tetrasodium meso-tetra(4-sulfonatophenyl)porphine

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

Tetraphenylporphyrin917-23-753 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-652 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-152 % similar Tetra(p-bromophenyl)porphyrin29162-73-052 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-852 % similar Tetra(4-pyridyl)porphyrin16834-13-251 % similar meso-Tetra(4-carboxyphenyl)porphine14609-54-249 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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