Monocalcium phosphate monohydrate

CaH₃O₅PCAS 10031-30-8154.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CaH₃O₅P
Molar mass: 154.07 g/mol
Exact mass: 153.9344 Da
logP: -2.13Crippen estimate
Polar surface area: 109.3 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 0

Identifiers

CAS number

10031-30-8

SMILES

[O-]P([O-])(=O)O.O.[Ca+2]

InChIKey

SNEQGKNGRFIHGW-UHFFFAOYSA-N

InChI

InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2

Weigh it out

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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

Similar compounds

Calcium hydrogen phosphate dihydrate7789-77-7100 % similar Dynafos10103-46-583 % similar Dicalcium phosphate7757-93-983 % similar Monocalcium phosphate7758-23-883 % similar Tricalcium phosphate7758-87-483 % similar Disodium hydrogen phosphate dihydrate10028-24-771 % similar Disodium hydrogen phosphate dodecahydrate10039-32-471 % similar Dipotassium hydrogen phosphate trihydrate16788-57-171 % similar

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

Elsewhere

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