chempirical

Dipotassium hydrogen phosphate trihydrate

H7K2O7PCAS 16788-57-1228.22 g/mol

Open in Covalent MOL file
O−PO−OOHH2OH2OH2OK+K+
Phosphate

Properties

Molecular formula
H7K2O7P
Molar mass
228.22 g/mol
Exact mass
227.9204 Da
Melting point
53 °C
logP
-4.16Crippen estimate
Polar surface area
172.3 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Identifiers

CAS number
16788-57-1
SMILES
[O-]P([O-])(=O)O.O.O.O.[K+].[K+]
InChIKey
KAVZEOQRVQPRQV-UHFFFAOYSA-N
InChI
InChI=1S/2K.H3O4P.3H2O/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);3*1H2

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Names and synonyms

3 names
  • Phosphoric acid, dipotassium salt, trihydrate
  • Dipotassium hydrogen phosphate (K2HPO4) trihydrate
  • Dipotassium monophosphate trihydrate

Work with Dipotassium hydrogen phosphate trihydrate

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

Dipotassium phosphate7758-11-483 % similar Disodium hydrogen phosphate dihydrate10028-24-771 % similar Monocalcium phosphate monohydrate10031-30-871 % similar Disodium hydrogen phosphate dodecahydrate10039-32-471 % similar Magnesium hydrogen phosphate trihydrate7782-75-471 % similar Disodium hydrogen phosphate heptahydrate7782-85-671 % similar Calcium hydrogen phosphate dihydrate7789-77-771 % similar Barium phosphate (BaHPO4)10048-98-357 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook