chempirical

Phenolphthalein diphosphate

C20H16O10P2CAS 2090-82-6478.29 g/mol

Open in Covalent MOL file
OOOPOOHHOOPOHOHO
EsterLactonePhosphate

Properties

Molecular formula
C20H16O10P2
Molar mass
478.29 g/mol
Exact mass
478.0219 Da
logP
3.09Crippen estimate
Polar surface area
159.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

Identifiers

CAS number
2090-82-6
SMILES
O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21
InChIKey
WMDDNKROYKCDJC-UHFFFAOYSA-N
InChI
InChI=1S/C20H16O10P2/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

4 names
  • 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-
  • Phenolphthalein, bis(dihydrogen phosphate)
  • 3,3-Bis[4-(phosphonooxy)phenyl]-1(3H)-isobenzofuranone
  • (3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) bis(dihydrogen phosphate)

Work with Phenolphthalein diphosphate

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 monophosphate bis(cyclohexylammonium) salt14815-59-970 % similar 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)68807-90-965 % similar Phenolphthalein77-09-861 % similar O-Cresolphthalein596-27-050 % similar Tetrabromophenolphthalein76-62-049 % similar Naphtholphthalein596-01-046 % similar Solvent red 72596-03-244 % similar Fluorescein2321-07-543 % similar

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

Elsewhere

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