Record Information
Version1.0
Creation Date2016-05-19 02:23:36 UTC
Update Date2016-11-09 01:09:53 UTC
Accession NumberCHEM007279
Identification
Common NamePOTASSIUM PHOSPHATE, MONOBASIC
ClassSmall Molecule
DescriptionA potassium salt in which dihydrogen phosphate(1-) is the counterion.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
MKPChEBI
Monopotassium dihydrogen phosphateChEBI
Monopotassium monophosphateChEBI
Monopotassium orthophosphateChEBI
Orthophosphoric acid, monopotassium saltChEBI
Phosphoric acid, monopotassium saltChEBI
Phosphoric acid, potassium salt (1:1)ChEBI
Potassium acid phosphateChEBI
Potassium dihydrogen orthophosphateChEBI
Potassium phosphateChEBI
Potassium phosphate monobasicChEBI
Sorensen's potassium phosphateChEBI
Monopotassium dihydrogen phosphoric acidGenerator
Monopotassium monophosphoric acidGenerator
Monopotassium orthophosphoric acidGenerator
Orthophosphate, monopotassium saltGenerator
Phosphate, monopotassium saltGenerator
Phosphate, potassium salt (1:1)Generator
Potassium acid phosphoric acidGenerator
Potassium dihydrogen orthophosphoric acidGenerator
Potassium phosphoric acidGenerator
Potassium phosphoric acid monobasicGenerator
Sorensen's potassium phosphoric acidGenerator
Monopotassium phosphoric acidGenerator
Monopotassium phosphateChEBI
Potassium phosphoric acid, monobasicGenerator
Potassium phosphoric acid (K(H2PO4))Generator
Chemical FormulaH2KO4P
Average Molecular Mass136.086 g/mol
Monoisotopic Mass135.933 g/mol
CAS Registry Number7778-77-0
IUPAC Namepotassium dihydrogen phosphate
Traditional Namepotassium dihydrogen phosphate
SMILES[K+].OP(O)([O-])=O
InChI IdentifierInChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChI KeyGNSKLFRGEWLPPA-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali 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 alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal phosphates
Direct ParentAlkali metal phosphates
Alternative Parents
Substituents
  • Alkali metal phosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-2900000000-705bf4c492a6a3f08fcaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-4900000000-8816486944077c4e87ddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0019-5900000000-1f8d744b4dcdaf18002fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9100000000-2bf1047037e4efb8752aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0059-9700000000-9e8490b13afdce9b1f40Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-520c7e2a186a838278c6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-54e975d41446154675c5Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB09413
HMDB IDHMDB0303429
FooDB IDFDB013364
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMonopotassium_phosphate
Chemspider ID22914
ChEBI ID63036
PubChem Compound ID24506
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21130014
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21931886