Record Information
Version1.0
Creation Date2016-05-19 02:23:28 UTC
Update Date2016-11-09 01:09:53 UTC
Accession NumberCHEM007268
Identification
Common NamePOTASSIUM HYPOPHOSPHATE
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Hypophosphate, tetrapotassium saltGenerator
Potassium hypophosphoric acidGenerator
Chemical FormulaK4O6P2
Average Molecular Mass314.335 g/mol
Monoisotopic Mass313.772 g/mol
CAS Registry Number99690-64-9
IUPAC Nametetrapotassium phosphonatophosphonate
Traditional Nametetrapotassium phosphonatophosphonate
SMILES[K+].[K+].[K+].[K+].[O-]P([O-])(=O)P([O-])([O-])=O
InChI IdentifierInChI=1S/4K.H4O6P2/c;;;;1-7(2,3)8(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
InChI KeyRILFGEIJJMTZLZ-UHFFFAOYSA-J
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal phosphonates. These are inorganic compounds in which the largest oxoanion is phosphonate, 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 phosphonates
Direct ParentAlkali metal phosphonates
Alternative Parents
Substituents
  • Alkali metal phosphonate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
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-1.6ChemAxon
pKa (Strongest Acidic)1.38ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area126.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity19.69 m³·mol⁻¹ChemAxon
Polarizability8.26 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0009000000-dc696b6a2290e661c69fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0009000000-dc696b6a2290e661c69fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0009000000-dc696b6a2290e661c69fSpectrum
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 IDNot Available
HMDB IDHMDB0303279
FooDB IDFDB010126
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID57450780
ChEBI IDNot Available
PubChem Compound ID71300779
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available