chempirical

Barium pyrophosphate

Ba2O7P2CAS 13466-21-2448.59 g/mol

Open in Covalent MOL file
O−PO−OOPO−O−OBa2+Ba2+
Phosphate

Properties

Molecular formula
Ba2O7P2
Molar mass
448.59 g/mol
Exact mass
449.7224 Da
logP
-1.57Crippen estimate
Polar surface area
124.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
2

Identifiers

CAS number
13466-21-2
SMILES
[O-]P([O-])(=O)OP([O-])([O-])=O.[Ba+2].[Ba+2]
InChIKey
HCVOFLPPRUIZSA-UHFFFAOYSA-N
InChI
InChI=1S/2Ba.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)

Weigh it out

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

Names and synonyms

8 names
  • Diphosphoric acid, barium salt (1:2)
  • Pyrophosphoric acid, barium salt (1:2)
  • Barium pyrophosphate (Ba2P2O7)
  • Dibarium pyrophosphate
  • Barium phosphate (Ba2P2O7)
  • Barium diphosphate (Ba2P2O7)
  • Dibarium diphosphate
  • Barium metaphosphate oxide (Ba2(PO3)2O)

Work with Barium pyrophosphate

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

Stannous pyrophosphate15578-26-467 % similar Potassium pyrophosphate7320-34-567 % similar Tetrasodium pyrophosphate7722-88-567 % similar Calcium pyrophosphate7790-76-367 % similar Sodium pyrophosphate decahydrate13472-36-157 % similar Potassium tripolyphosphate13845-36-848 % similar Sodium triphosphate7758-29-448 % similar Iron(III) pyrophosphate10058-44-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook