Showing Compound Ammonium dihydrogenphosphate (FDB013363)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:40 UTC

Update date

2018-05-29 01:04:40 UTC

Primary ID

FDB013363

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Ammonium dihydrogenphosphate

Description

Ammonium dihydrogenphosphate, also known as ammonium acid phosphate or dihydrogen ammonium phosphate, belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion. Ammonium dihydrogenphosphate is a moderately acidic compound (based on its pKa).

CAS Number

7722-76-1

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Ammonium acid phosphate	ChEBI
Ammonium biphosphate	ChEBI
Ammonium diacid phosphate	ChEBI
Ammonium dihydrogen orthophosphate	ChEBI
Ammonium dihydrophosphate	ChEBI
Ammonium monobasic phosphate	ChEBI
Ammonium monophosphate	ChEBI
Ammonium orthophosphate dihydrogen	ChEBI
Dihydrogen ammonium phosphate	ChEBI
Monoammonium acid phosphate	ChEBI
Monoammonium dihydrogen orthophosphate	ChEBI
Monoammonium dihydrogen phosphate	ChEBI
Monoammonium hydrogen phosphate	ChEBI
Monoammonium orthophosphate	ChEBI
Monoammonium phosphate	ChEBI
Monobasic ammonium phosphate	ChEBI
Phosphoric acid, monoammonium salt	ChEBI
Primary ammonium phosphate	ChEBI
Ammonium acid phosphoric acid	Generator
Ammonium biphosphoric acid	Generator
Ammonium diacid phosphoric acid	Generator
Ammonium dihydrogen orthophosphoric acid	Generator
Ammonium dihydrophosphoric acid	Generator
Ammonium monobasic phosphoric acid	Generator
Ammonium monophosphoric acid	Generator
Ammonium orthophosphoric acid dihydrogen	Generator
Dihydrogen ammonium phosphoric acid	Generator
Monoammonium acid phosphoric acid	Generator
Monoammonium dihydrogen orthophosphoric acid	Generator
Monoammonium dihydrogen phosphoric acid	Generator
Monoammonium hydrogen phosphoric acid	Generator
Monoammonium orthophosphoric acid	Generator
Monoammonium phosphoric acid	Generator
Monobasic ammonium phosphoric acid	Generator
Phosphate, monoammonium salt	Generator
Primary ammonium phosphoric acid	Generator
Ammonium dihydrogenphosphoric acid	Generator
Ammonium phosphate	MeSH
Ammonium orthophosphate	MeSH
Ammonium phosphate, dibasic	MeSH
Diammonium phosphate	MeSH
Ammonium hydrogen phosphate	MeSH
Diammonium hydrogen phosphate	MeSH
Triammonium phosphate	MeSH
Ammonium phosphate, tribasic	MeSH
Tribasic ammonium phosphate	MeSH
Ammonium phosphate ((NH4)3po4)	MeSH
Ammonium phosphate, monobasic	MeSH
Phosphoric acid, ammonium salt	MeSH
Primary ammonum phosphate	MeSH
Amfos	biospider
Ammonium dihydrogen phosphate	biospider
Ammonium dihydrogen phosphate ((NH4)H2PO4)	biospider
Ammonium dihydrogenphosphate	db_source
Ammonium monobasic phosphate (NH4H2PO4)	biospider
Ammonium phosphate (NH4H2PO4)	biospider
Ammonium phosphate, NH4H2PO4	biospider
Ammonium phosphate?	db_source
FR-CROS 282	biospider
Monoammonium dihydrogen phosphate ((NH4)H2PO4)	biospider
Monoammonium phosphate, 9CI, 8CI	db_source
Phosphoric acid monoammonium salt	biospider
Taikarin f	biospider
Taikarin FN	biospider

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	2	ChemAxon
Polar Surface Area	80.59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.53 m³·mol⁻¹	ChemAxon
Polarizability	5.53 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

H6NO4P

IUPAC name

ammonium dihydrogen phosphate

InChI Identifier

InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)

InChI Key

LFVGISIMTYGQHF-UHFFFAOYSA-N

Isomeric SMILES

[NH4+].OP(O)([O-])=O

Average Molecular Weight

115.0257

Monoisotopic Molecular Weight

115.003444197

Classification

Description

Belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal phosphates

Direct Parent

Non-metal phosphates

Alternative Parents

Substituents

Non-metal phosphate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

ammonium salt (CHEBI:62982 )

Ontology

Disposition

Source:

Food

Role

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	H 5.26%; N 12.18%; O 55.64%; P 26.93%	DFC
Melting Point	Mp 190°	DFC
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

Type	Description	Splash Key	View
Predicted GC-MS	Ammonium dihydrogenphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-014i-3900000000-8fe0baf8df7336d2d3fa	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0900000000-03e0206f7982fb880eeb	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-0900000000-03e0206f7982fb880eeb	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-0900000000-03e0206f7982fb880eeb	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-96265901853aa50d8d71	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-96265901853aa50d8d71	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-96265901853aa50d8d71	Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

123954

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34805

CRC / DFC (Dictionary of Food Compounds) ID

HTM98-Q:HTM98-Q

EAFUS ID

183

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

Not Available

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

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Ammonium dihydrogenphosphate (FDB013363)

Structure for FDB013363 (Ammonium dihydrogenphosphate)