Monocalcium phosphate monohydrate

CaH6O9P2CAS 10031-30-8252.06 g/mol

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O−PO−OHOOPOHOHHOH2OCa2+
Phosphate

Properties

Molecular formula
CaH6O9P2
Molar mass
252.06 g/mol
Exact mass
251.9113 Da
logP
-2.13Crippen estimate
Polar surface area
109.3 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10031-30-8
SMILES
[O-]P([O-])(=O)O.O=P(O)(O)O.O.[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

14 names · show all
  • Calcium phosphate (Ca(H2PO4)2.H2O)
  • Phosphoric acid, calcium salt, hydrate (2:1:1)
  • Phosphoric acid, calcium salt (2:1), monohydrate
  • Acid calcium phosphate hydrate
  • Calcium superphosphate hydrate
  • Monocalcium orthophosphate monohydrate
  • Calcium tetrahydrogen diphosphate monohydrate
  • Calcium hydrogen phosphate (Ca(H2PO4)2) monohydrate
  • Calcium phosphate (Ca(H2PO4)2) monohydrate
  • Calcium dihydrogen phosphate (Ca(H2PO4)2) monohydrate
  • Calcium bis(dihydrogen phosphate) monohydrate
  • Calcium dihydrogen phosphate monohydrate
  • Monocalcium superphosphate hydrate
  • Ibex MCP

Work with Monocalcium phosphate monohydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Calcium hydroxide phosphate (Ca5(OH)(PO4)3)12167-74-7

Similar compounds

Monocalcium phosphate7758-23-886 % similar Calcium hydrogen phosphate dihydrate7789-77-782 % similar Dynafos10103-46-568 % similar Dicalcium phosphate7757-93-968 % similar Monomagnesium phosphate13092-66-564 % similar Barium phosphate (Ba(H2PO4)2)13466-20-164 % similar Zinc dihydrogen phosphate13598-37-364 % similar Manganese dihydrogen phosphate18718-07-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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