Record Information
Version1.0
Creation date2010-04-08 22:10:40 UTC
Update date2015-07-20 22:58:15 UTC
Primary IDFDB013363
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium dihydrogenphosphate
DescriptionUsed in food as a source of acidity, pH control agent, buffering agent, leavening agent, dough strengthener and nutrient source; also used as a yeast nutrient in wine production and to start secondary fermentations in the production of sparkling wines
CAS Number7722-76-1
Structure
Thumb
Synonyms
SynonymSource
Amfosbiospider
Ammonium acid phosphatebiospider
Ammonium biphosphatebiospider
Ammonium diacid phosphatebiospider
Ammonium dihydrogen orthophosphatebiospider
Ammonium dihydrogen phosphatebiospider
Ammonium dihydrogen phosphate ((NH4)H2PO4)biospider
Ammonium dihydrogenphosphatedb_source
Ammonium dihydrophosphatebiospider
Ammonium monobasic phosphatebiospider
Ammonium monobasic phosphate (NH4H2PO4)biospider
Ammonium orthophosphatebiospider
Ammonium phosphate (NH4H2PO4)biospider
Ammonium phosphate, NH4H2PO4biospider
Ammonium phosphate?db_source
Dihydrogen ammonium phosphatebiospider
FR-CROS 282biospider
Monoammonium acid phosphatebiospider
Monoammonium dihydrogen phosphatebiospider
Monoammonium dihydrogen phosphate ((NH4)H2PO4)biospider
Monoammonium hydrogen phosphatebiospider
Monoammonium orthophosphatebiospider
Monoammonium phosphatebiospider
Monoammonium phosphate, 9CI, 8CIdb_source
Monobasic ammonium phosphatebiospider
Phosphoric acid monoammonium saltbiospider
Phosphoric acid, ammonium saltbiospider
Phosphoric acid, monoammonium saltbiospider
Primary ammonium phosphatebiospider
Taikarin fbiospider
Taikarin FNbiospider
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.53 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH6NO4P
IUPAC nameammonium dihydrogen phosphate
InChI IdentifierInChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChI KeyInChIKey=LFVGISIMTYGQHF-UHFFFAOYSA-N
Isomeric SMILES[NH4+].OP(O)([O-])=O
Average Molecular Weight115
Monoisotopic Molecular Weight115
Classification
DescriptionThis compound belongs to the class of chemical entities known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct ParentNon-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 5.26%; N 12.18%; O 55.64%; P 26.93%DFC
Melting PointMp 190°DFC
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 GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-3900000000-8fe0baf8df7336d2d3faView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-96265901853aa50d8d71View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-96265901853aa50d8d71View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-96265901853aa50d8d71View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID123954
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34805
CRC / DFC (Dictionary of Food Compounds) IDHTM98-Q:HTM98-Q
EAFUS ID183
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference