chempirical

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

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+]
InChIKey
IXCIBOUZELNCDJ-JMTKZKQUSA-N
InChI
InChI=1S/C44H30N4O12S4.4Na/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?;;;;

Weigh it out

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

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(4-aminophenyl)porphyrin22112-84-152 % similar Tetra(4-pyridyl)porphyrin16834-13-251 % similar Sodium 2-phenylindole-5-sulfonate119205-39-942 % similar Poly(sodium 4-styrenesulfonate)25704-18-141 % similar Sodium 4-styrenesulfonate2695-37-641 % similar Sodium 4-methylbenzenesulfonate12068-03-040 % similar Sodium P-aminobenzenesulfonate515-74-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook