Record Information
Version1.0
Creation date2010-04-08 22:10:40 UTC
Update date2018-05-29 01:04:39 UTC
Primary IDFDB013361
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMagnesium phosphate (Mg(HPO4))
DescriptionIt is used in foods as a nutritional source of Mg and P, pH control agent, dietary supplement, flow aid and leavening agent
CAS Number7757-86-0
Structure
Thumb
Synonyms
SynonymSource
Magnesium hydrogenorthophosphatebiospider
Magnesium hydrogenphosphatedb_source
Magnesium phosphatebiospider
Magnesium phosphate (1:1), 9CI, 8CIdb_source
Magnesium phosphate, dibasicbiospider
Phosphoric acid, magnesium saltbiospider
Phosphoric acid, magnesium salt (1:1), 8CIdb_source
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area83.42 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.41 m³·mol⁻¹ChemAxon
Polarizability5.23 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaHMgO4P
IUPAC namemagnesium(2+) ion hydrogen phosphate
InChI IdentifierInChI=1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
InChI KeyMHJAJDCZWVHCPF-UHFFFAOYSA-L
Isomeric SMILES[Mg++].OP([O-])([O-])=O
Average Molecular Weight120.284
Monoisotopic Molecular Weight119.94628693
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkaline earth metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomChemical entities
Super ClassInorganic compounds
ClassMixed metal/non-metal compounds
Sub ClassAlkaline earth metal oxoanionic compounds
Direct ParentAlkaline earth metal phosphates
Alternative Parents
Substituents
  • Alkaline earth metal phosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 0.84%; Mg 20.21%; O 53.21%; P 25.75%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID123955
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHTM93-L:HTM93-L
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1311391
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference