Record Information
Version1.0
Creation date2010-04-08 22:10:40 UTC
Update date2018-05-29 01:04:37 UTC
Primary IDFDB013354
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium metaphosphate
DescriptionIt is used as a food additive
CAS Number7790-53-6
Structure
Thumb
Synonyms
SynonymSource
Metaphosphoric acid (HPO3), potassium saltbiospider
Metaphosphoric acid (HPO3), potassium salt (1:1)biospider
Potassium metaphosphate (NF)biospider
Potassium polymetaphosphatebiospider
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)0.4ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area148.08 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity29.25 m³·mol⁻¹ChemAxon
Polarizability12.18 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaK4O12P4
IUPAC nametetrapotassium trioxo-1,3,5,2λ⁵,4λ⁵,6λ⁵-trioxatriphosphinane-2,4,6-tris(olate) oxophosphinate
InChI IdentifierInChI=1S/4K.H3O9P3.HO3P/c;;;;1-10(2)7-11(3,4)9-12(5,6)8-10;1-4(2)3/h;;;;(H,1,2)(H,3,4)(H,5,6);(H,1,2,3)/q4*+1;;/p-4
InChI KeyKVTDAUFEDONUBB-UHFFFAOYSA-J
Isomeric SMILES[K+].[K+].[K+].[K+].[O-]P(=O)=O.[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1
Average Molecular Weight472.281
Monoisotopic Molecular Weight471.688848956
Classification
DescriptionThis compound 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
  • Oxacycle
  • Inorganic oxide
  • Inorganic salt
  • Heteromonocyclic compound
Molecular FrameworkHeteromonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionK 33.11%; O 40.65%; P 26.23%DFC
Melting PointMp 803-813°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
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID16133895
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHTM49-C:HTM49-C
EAFUS ID3146
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1610731
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
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference