chempirical

Disodium phenyl phosphate

C6H5Na2O4PCAS 3279-54-7218.06 g/mol

Open in Covalent MOL file
O−PO−OONa+Na+
Phosphate

Properties

Molecular formula
C6H5Na2O4P
Molar mass
218.06 g/mol
Exact mass
217.9721 Da
logP
0.40Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
3279-54-7
SMILES
[O-]P([O-])(=O)Oc1ccccc1.[Na+].[Na+]
InChIKey
GRJDUUGBTBXOHL-UHFFFAOYSA-N
InChI
InChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;

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Names and synonyms

6 names
  • Phosphoric acid, monophenyl ester, disodium salt
  • Phosphoric acid, monophenyl ester, sodium salt (1:2)
  • Phenyl disodium orthophosphate
  • Phenyldisodium phosphate
  • Phenylphosphate disodium salt
  • Disodium monophenyl phosphate

Work with Disodium phenyl phosphate

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

Disodium P-nitrophenyl phosphate4264-83-957 % similar 1-Naphthyl disodium orthophosphate2183-17-756 % similar Triphenyl phosphate115-86-650 % similar 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)68807-90-950 % similar Tetrasodium pyrophosphate7722-88-550 % similar Diphenyl chlorophosphate2524-64-345 % similar Phenyl phosphorodiamidate7450-69-345 % similar Phenyl phosphorodichloridate770-12-745 % similar

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

Elsewhere

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