Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2018-05-29 01:04:48 UTC
Primary IDFDB013381
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium diphosphate (K4(P2O7))
Descriptiontetrapotassium (phosphonatooxy)phosphonate belongs to the class of inorganic compounds known as alkali metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is an alkali metal. Based on a literature review very few articles have been published on tetrapotassium (phosphonatooxy)phosphonate.
CAS Number7320-34-5
Structure
Thumb
Synonyms
SynonymSource
Tetrapotassium (phosphonatooxy)phosphonic acidGenerator
Potassium diphosphoric acid (K4(P2O7))Generator
Tetrapotassium pyrophosphateMeSH
Diphosphoric acid, potassium saltbiospider
Diphosphoric acid, potassium salt (1:4)biospider
Diphosphoric acid, tetrapotassium saltbiospider
Potassium diphosphatebiospider
Potassium pyrophosphatedb_source
Pyrophosphoric acid, tetrapotassium saltbiospider
Tetrapotassium diphosphatebiospider
Tetrapotassium diphosphate, 9CIdb_source
Tetrapotassium diphosphoratebiospider
Tetrapotassium pyrophosphate, 8CIdb_source
TKPPbiospider
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area135.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity21.04 m³·mol⁻¹ChemAxon
Polarizability9.03 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaK4O7P2
IUPAC nametetrapotassium (phosphonatooxy)phosphonate
InChI IdentifierInChI=1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
InChI KeyRYCLIXPGLDDLTM-UHFFFAOYSA-J
Isomeric SMILES[K+].[K+].[K+].[K+].[O-]P([O-])(=O)OP([O-])([O-])=O
Average Molecular Weight330.3365
Monoisotopic Molecular Weight329.766752822
Classification
Description Belongs to the class of inorganic compounds known as alkali metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, 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 pyrophosphates
Direct ParentAlkali metal pyrophosphates
Alternative Parents
Substituents
  • Alkali metal pyrophosphate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionK 47.34%; O 33.90%; P 18.75%DFC
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0009000000-bd63e4b10901db2513e72019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0009000000-bd63e4b10901db2513e72019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0009000000-bd63e4b10901db2513e72019-02-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID23740
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHTW33-R:HTW33-R
EAFUS ID3147
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