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

Ester Lactone Phosphate

Properties

Molecular formula: C₂₀H₁₂Na₄O₁₀P₂
Molar mass: 566.21 g/mol
Exact mass: 565.9496 Da
logP: 1.57Crippen estimate
Polar surface area: 159.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 6

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+]

InChIKey

OXOCDDRINVOKHT-UHFFFAOYSA-N

InChI

InChI=1S/C20H16O10P2.4Na/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;

Weigh it out

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

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

Similar compounds

Phenolphthalein diphosphate2090-82-665 % similar 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

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

Elsewhere

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