Record Information
Version1.0
Creation date2011-09-21 00:20:30 UTC
Update date2015-07-21 06:57:24 UTC
Primary IDFDB022848
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDihydrogen phosphate
DescriptionDihydrogen phosphate is an inorganic salt used in numerous analytical methods, and in buffer solutions. (PMID: 15369738). It is one of several forms of the phosphate ion that can exist physiologically. It readily forms salts with sodium or potassium cations. [HMDB]
CAS Number14066-20-7
Structure
Thumb
Synonyms
SynonymSource
[PO2(OH)2](-)ChEBI
DIHYDROGENphosphATE ionChEBI
H2PO4(-)ChEBI
DIHYDROGENphosphoric acid ionGenerator
Dihydrogenphosphoric acidGenerator
Dihydrogen phosphoric acidGenerator
Dihydrogen(tetraoxidophosphate)(1-)HMDB
DihydrogenphosphateHMDB
Dihydrogentetraoxophosphate(1-)HMDB
Dihydrogentetraoxophosphate(V)HMDB
Dihydroxidodioxidophosphate(1-)HMDB
Phosphate dihydrogenHMDB
Phosphate hydrogenHMDB
ate DihydrogenHMDB
ate HydrogenHMDB
Dihydrogen(tetraoxidoate)(1-)HMDB
dihydrogen(tetraoxidophosphate)(1-)hmdb
DihydrogenateHMDB
DIHYDROGENATE ionChEBI
DIHYDROGENic acid ionGenerator
Dihydrogenphosphate ionhmdb
Dihydrogentetraoxoate(1-)HMDB
Dihydrogentetraoxoate(V)HMDB
dihydrogentetraoxophosphate(1-)hmdb
Dihydrogentetraoxophosphate(v)hmdb
Dihydroxidodioxidoate(1-)HMDB
dihydroxidodioxidophosphate(1-)hmdb
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 FormulaH2O4P
IUPAC namedihydrogen phosphate
InChI IdentifierInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChI KeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
Isomeric SMILESOP(O)([O-])=O
Average Molecular Weight96.9872
Monoisotopic Molecular Weight96.969070064
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
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
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, Positivesplash10-0002-9000000000-fdc72d1077ecd51c56e2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001j-9000000000-44811d5b1fbcd2c4dec5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-0ba07d6aecaa1e6ba796View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-4dbcf53a7eccc33f7e9eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-ee55ece1c39ef615120bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000t-9000000000-034e9557a0aef3ad6fb0View in MoNA
ChemSpider ID978
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID1003
Pubchem Substance IDNot Available
ChEBI ID28296
Phenol-Explorer IDNot Available
DrugBank IDDB02831
HMDB IDHMDB02105
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET ID2HP
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDDihydrogen Phosphate
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
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference