Showing Compound Magnesium phosphate (Mg(HPO4)) (FDB013361)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:40 UTC

Update date

2025-11-18 23:43:54 UTC

Primary ID

FDB013361

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Magnesium phosphate (Mg(HPO4))

Description

magnesium(2+) ion hydrogen phosphate belongs to the class of inorganic compounds 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. Based on a literature review a significant number of articles have been published on magnesium(2+) ion hydrogen phosphate.

CAS Number

7757-86-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Magnesium(2+) ion hydrogen phosphoric acid	Generator
Magnesium phosphoric acid (MG(HPO4))	Generator
Magnesium phosphate (1:1)	MeSH
Newberyite	MeSH
Trimagnesium orthophosphate	MeSH
Magnesium phosphate, monobasic	MeSH
Newberyte	MeSH
Magnesium orthophosphate	MeSH
Magnesium phosphate	MeSH
Magnesium phosphate (2:1)	MeSH
Magnesium phosphate (2:3)	MeSH
Magnesium phosphate, tribasic	MeSH
Magnesium phosphate, tribasic, pentahydrate	MeSH
Magnesium phosphate, dibasic	MeSH
Magnesium hydrogenorthophosphate	biospider
Magnesium hydrogenphosphate	db_source
Magnesium phosphate (1:1), 9CI, 8CI	db_source
Phosphoric acid, magnesium salt	biospider
Phosphoric acid, magnesium salt (1:1), 8CI	db_source

Predicted Properties

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	83.42 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	12.41 m³·mol⁻¹	ChemAxon
Polarizability	5.23 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

HMgO4P

IUPAC name

magnesium(2+) ion hydrogen phosphate

InChI Identifier

InChI=1S/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2

InChI Key

MHJAJDCZWVHCPF-UHFFFAOYSA-L

Isomeric SMILES

[Mg++].OP([O-])([O-])=O

Average Molecular Weight

120.284

Monoisotopic Molecular Weight

119.94628693

Classification

Description

Belongs to the class of inorganic compounds 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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkaline earth metal oxoanionic compounds

Sub Class

Alkaline earth metal phosphates

Direct Parent

Alkaline earth metal phosphates

Alternative Parents

Substituents

Alkaline earth metal phosphate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	H 0.84%; Mg 20.21%; O 53.21%; P 25.75%	DFC
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0900000000-e8b1586cf673857edbf8	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0900000000-e8b1586cf673857edbf8	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-0900000000-e8b1586cf673857edbf8	2019-02-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0900000000-c58b275e9a53ff6fe10e	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-0900000000-c58b275e9a53ff6fe10e	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-0900000000-c58b275e9a53ff6fe10e	2019-02-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

110477

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

123955

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

HTM93-L:HTM93-L

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1311391

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference