Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2015-07-20 22:58:33 UTC
Primary IDFDB013383
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium triphosphate (K5(P3O10))
DescriptionFood contaminant derived from its use as a boiler water additive for the prepn. of steam used in food processing. Texturiser and sequestrant in foods, mainly as the K/Na double salt PPPi is a salt or acid that contains three phosphate groups ; ; Triphosphoric acid, also tripolyphosphoric acid, with formula H5P3O10, is a condensed form of phosphoric acid.In polyphosphoric acids, it is the next after pyrophosphoric acid, H4P2O7, also called diphosphoric acid.Compounds such as ATP (adenosine triphosphate) are esters of triphosphoric acid.; ; Polyphosphates are hydrolyzed into smaller units (orthophosphates) in the gut before absorption, which may induce a metabolic acidosis. The acute toxicity of polyphosphonates is low as the lowest LD50 after oral administration is > 1,000 mg/kg body weight.Polyphosphates are moderately irritating to skin and mucous membrane because of their alkalinity.; ; No mutagenic potential was observed when TTP was tested in a Salmonella/microsome assay (Ames test) and in a chromosomal aberration assay in vitro using a Chinese hamster fibroblast cell line (Ishidate et al. 1984). Tetrasodium pyrophosphate was not mutagenic in an in vitro assay using S. cerevisiae strains and S. typhimurium strains with and without the addition of mammalian metabolic activation preparations (IPCS 1982).; ; Reproduction studies in three generations of rats on diets with 0.5% TTP were performed. TTP had no effects on fertility or litter size, or on growth or survival on offspring (Hodge 1964). Tetrasodi
CAS Number13845-36-8
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-1.9ChemAxon
pKa (Strongest Acidic)0.89ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area184.97 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity30.79 m³·mol⁻¹ChemAxon
Polarizability13.18 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaK5O10P3
IUPAC namepentapotassium bis(phosphonatooxy)phosphinate
InChI IdentifierInChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5
InChI KeyATGAWOHQWWULNK-UHFFFAOYSA-I
Isomeric SMILES[K+].[K+].[K+].[K+].[K+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O
Average Molecular Weight448.4068
Monoisotopic Molecular Weight447.688965061
Classification
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 DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0000900000-3c6ea5ac299e71dfc7dc2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0000900000-3c6ea5ac299e71dfc7dc2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-0000900000-3c6ea5ac299e71dfc7dc2019-02-22View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHTW36-U:HTW36-U
EAFUS ID3153
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
Processing...
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