Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2019-11-26 03:11:33 UTC
Primary IDFDB015407
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium persulfate (K2S2O8)
Descriptiondipotassium [(sulfonatoperoxy)sulfonyl]oxidanide belongs to the class of inorganic compounds known as alkali metal peroxodisulfates. These are inorganic compounds in which the largest oxoanion is peroxodisulfate, 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 dipotassium [(sulfonatoperoxy)sulfonyl]oxidanide.
CAS Number7727-21-1
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-0.93ChemAxon
pKa (Strongest Acidic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area132.86 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity22.87 m³·mol⁻¹ChemAxon
Polarizability11.73 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaK2O8S2
IUPAC namedipotassium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate
InChI IdentifierInChI=1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChI KeyUSHAGKDGDHPEEY-UHFFFAOYSA-L
Isomeric SMILES[K+].[K+].[O-]S(=O)(=O)OOS([O-])(=O)=O
Average Molecular Weight270.322
Monoisotopic Molecular Weight269.830872078
Classification
Description Belongs to the class of inorganic compounds known as alkali metal peroxodisulfates. These are inorganic compounds in which the largest oxoanion is peroxodisulfate, 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 peroxodisulfates
Direct ParentAlkali metal peroxodisulfates
Alternative Parents
Substituents
  • Alkali metal peroxodisulfate
  • 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, Positivesplash10-00di-0090000000-32c36f0af07f5725b0152019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0390000000-33e3cfabee7b22152e8e2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01b9-4950000000-2ece9c4cf2918bd62d702019-02-22View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24412
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBX32-G:KBX32-G
EAFUS ID3143
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