1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)

C20H12Na4O10P2CAS 68807-90-9566.21 g/mol

Open in Covalent MOL file
O−PO−OOOPO−O−OOONa+Na+Na+Na+
EsterLactonePhosphate

Properties

Molecular formula
C20H12Na4O10P2
Molar mass
566.21 g/mol
Exact mass
565.9496 Da
logP
1.57Crippen estimate
Polar surface area
159.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

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
68807-90-9
SMILES
[O-]P([O-])(=O)Oc1ccc(C2(c3ccc(OP([O-])([O-])=O)cc3)OC(=O)c3ccccc23)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

3 names
  • 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, tetrasodium salt
  • Phenolphthalein, bis(dihydrogen phosphate), tetrasodium salt
  • Phenolphthalein, diphosphate, tetrasodium salt

Work with 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Phenolphthalein diphosphate2090-82-6Free acid

Similar compounds

Phenolphthalein77-09-854 % similar Disodium phenyl phosphate3279-54-750 % similar Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-948 % similar Sodium fluorescein518-47-846 % similar O-Cresolphthalein596-27-045 % similar Acid red 9533239-19-944 % similar Tetrabromophenolphthalein76-62-044 % similar Alpha-Naphtholphthalein596-01-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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