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Showing Compound Ammonium dihydrogenphosphate (FDB013363)

Record Information
Version1.0
Creation date2010-04-08 22:10:40 UTC
Update date2018-05-29 01:04:40 UTC
Primary IDFDB013363
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium dihydrogenphosphate
DescriptionAmmonium 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 Number7722-76-1
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Ammonium acid phosphateChEBI
Ammonium biphosphateChEBI
Ammonium diacid phosphateChEBI
Ammonium dihydrogen orthophosphateChEBI
Ammonium dihydrophosphateChEBI
Ammonium monobasic phosphateChEBI
Ammonium monophosphateChEBI
Ammonium orthophosphate dihydrogenChEBI
Dihydrogen ammonium phosphateChEBI
Monoammonium acid phosphateChEBI
Monoammonium dihydrogen orthophosphateChEBI
Monoammonium dihydrogen phosphateChEBI
Monoammonium hydrogen phosphateChEBI
Monoammonium orthophosphateChEBI
Monoammonium phosphateChEBI
Monobasic ammonium phosphateChEBI
Phosphoric acid, monoammonium saltChEBI
Primary ammonium phosphateChEBI
Ammonium acid phosphoric acidGenerator
Ammonium biphosphoric acidGenerator
Ammonium diacid phosphoric acidGenerator
Ammonium dihydrogen orthophosphoric acidGenerator
Ammonium dihydrophosphoric acidGenerator
Ammonium monobasic phosphoric acidGenerator
Ammonium monophosphoric acidGenerator
Ammonium orthophosphoric acid dihydrogenGenerator
Dihydrogen ammonium phosphoric acidGenerator
Monoammonium acid phosphoric acidGenerator
Monoammonium dihydrogen orthophosphoric acidGenerator
Monoammonium dihydrogen phosphoric acidGenerator
Monoammonium hydrogen phosphoric acidGenerator
Monoammonium orthophosphoric acidGenerator
Monoammonium phosphoric acidGenerator
Monobasic ammonium phosphoric acidGenerator
Phosphate, monoammonium saltGenerator
Primary ammonium phosphoric acidGenerator
Ammonium dihydrogenphosphoric acidGenerator
Ammonium phosphateMeSH
Ammonium orthophosphateMeSH
Ammonium phosphate, dibasicMeSH
Diammonium phosphateMeSH
Ammonium hydrogen phosphateMeSH
Diammonium hydrogen phosphateMeSH
Triammonium phosphateMeSH
Ammonium phosphate, tribasicMeSH
Tribasic ammonium phosphateMeSH
Ammonium phosphate ((NH4)3po4)MeSH
Ammonium phosphate, monobasicMeSH
Phosphoric acid, ammonium saltMeSH
Primary ammonum phosphateMeSH
Amfosbiospider
Ammonium dihydrogen phosphatebiospider
Ammonium dihydrogen phosphate ((NH4)H2PO4)biospider
Ammonium dihydrogenphosphatedb_source
Ammonium monobasic phosphate (NH4H2PO4)biospider
Ammonium phosphate (NH4H2PO4)biospider
Ammonium phosphate, NH4H2PO4biospider
Ammonium phosphate?db_source
FR-CROS 282biospider
Monoammonium dihydrogen phosphate ((NH4)H2PO4)biospider
Monoammonium phosphate, 9CI, 8CIdb_source
Phosphoric acid monoammonium saltbiospider
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH6NO4P
IUPAC nameammonium dihydrogen phosphate
InChI IdentifierInChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChI KeyLFVGISIMTYGQHF-UHFFFAOYSA-N
Isomeric SMILES[NH4+].OP(O)([O-])=O
Average Molecular Weight115.0257
Monoisotopic Molecular Weight115.003444197
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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal phosphates
Direct ParentNon-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Source:

Role

Biological role:

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
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSAmmonium dihydrogenphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-014i-3900000000-8fe0baf8df7336d2d3faSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
NMRNot Available
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
Food Biomarker OntologyNot Available
VMH 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