Record Information
Version1.0
Creation date2010-04-08 22:10:38 UTC
Update date2015-07-20 22:57:51 UTC
Primary IDFDB013311
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium hydrogen sulfate (KHSO4)
DescriptionPotassium hydrogen sulfate (KHSO4), also known as potassium hydrogen sulfuric acid (khso4), belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkali metal. Potassium hydrogen sulfate (KHSO4) is an extremely strong acidic compound (based on its pKa).
CAS Number7646-93-7
Structure
Thumb
Synonyms
SynonymSource
Potassium hydrogen sulfuric acid (khso4)Generator
Potassium hydrogen sulphate (khso4)Generator
Potassium hydrogen sulphuric acid (khso4)Generator
Acid potassium sulfatebiospider
E515?db_source
Monopotassium hydrogen sulfatebiospider
Monopotassium sulfatebiospider
Potassium acid sulfatebiospider
Potassium bisulfatedb_source
Potassium bisulphatebiospider
Potassium hydrogen sulfatebiospider
Potassium hydrogen sulfate [UN2509] [Corrosive]biospider
Potassium hydrogen sulfate, solidbiospider
Potassium hydrogensulphatebiospider
Potassium hydrosulfate (KHSO4)biospider
Potassium sulfate (KHSO4)db_source
Potassium sulfate, KHSO4biospider
Sal enixumdb_source
Sulfuric acid monopotassium saltbiospider
Sulfuric acid potassium salt (1:1)biospider
Sulfuric acid, monopotassium saltbiospider
Sulfuric acid, monopotassium salt, 8CIdb_source
Sulfuric acid, potassium salt (1:1)biospider
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area77.43 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.65 m³·mol⁻¹ChemAxon
Polarizability6.16 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaHKO4S
IUPAC namepotassium hydrogen sulfate
InChI IdentifierInChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
InChI KeyCHKVPAROMQMJNQ-UHFFFAOYSA-M
Isomeric SMILES[K+].OS([O-])(=O)=O
Average Molecular Weight136.169
Monoisotopic Molecular Weight135.923261071
Classification
Description belongs to the class of inorganic compounds known as alkali metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, 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 sulfates
Direct ParentAlkali metal sulfates
Alternative Parents
Substituents
  • Alkali metal sulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 0.74%; K 28.71%; O 47.00%; S 23.55%DFC
Melting PointMp 214°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
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-3900000000-6e06282e3e8ec61e30cdJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0019-6900000000-331c6d9af1cd8e81b9bfJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001r-9400000000-7ef623e199f95892ef4aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-1f543ce7e11557840540JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-1f543ce7e11557840540JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-1f543ce7e11557840540JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID516920
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHSF56-M:HSF56-M
EAFUS IDNot Available
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