Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2015-07-20 23:17:38 UTC
Primary IDFDB015393
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium hydrogen sulfate
DescriptionSodium hydrogen sulfate is an extremely strong acidic compound (based on its pKa).
CAS Number7681-38-1
Structure
Thumb
Synonyms
SynonymSource
Sodium hydrogen sulfuric acidGenerator
Sodium hydrogen sulphateGenerator
Sodium hydrogen sulphuric acidGenerator
Sodium sulfate, 35S-labeled CPDMeSH
Disodium sulfateMeSH
Natrii sulphasMeSH
Sodium bisulfateMeSH
Sodium bisulfate, monohydrateMeSH
Sodium hydrosulfateMeSH
Sodium sulfateMeSH
MangxiaoMeSH
MirabilitumMeSH
Sulfuric acid, monosodium saltMeSH
PuxiaoMeSH
Sodium sulfate, decahydrateMeSH
ThenarditeMeSH
BIFbiospider
Bisulfate of sodabiospider
E514?db_source
Fanalbiospider
GBSbiospider
Monosodium hydrogen sulfatebiospider
Monosodium sulfatebiospider
Niter cakebiospider
Nitre cakebiospider
Sodium acid sulfatedb_source
Sodium bisulfate, fusedbiospider
Sodium bisulfate, solid(dot)biospider
Sodium hydrogen sulfate (NaHSO4)biospider
Sodium hydrogen sulfate, solid (dot)biospider
Sodium hydrogensulphatebiospider
Sodium pyrosulfatebiospider
Sodium sulfate, NaHSO4biospider
Sulfuric acid monosodium saltbiospider
Sulfuric acid monosodium salt, 8CIdb_source
Sulfuric acid, sodium salt (1:1)biospider
WC-klosettreinigerbiospider
WC-perfectbiospider
WC-superbiospider
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaHNaO4S
IUPAC namesodium hydrogen sulfate
InChI IdentifierInChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
InChI KeyWBHQBSYUUJJSRZ-UHFFFAOYSA-M
Isomeric SMILES[Na+].OS([O-])(=O)=O
Average Molecular Weight120.06
Monoisotopic Molecular Weight119.949323885
Classification
DescriptionThis compound 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 sodium salt
  • 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 0.84%; Na 19.15%; O 53.30%; S 26.71%DFC
Melting PointMp 182°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKa1.9
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, Positivesplash10-00di-3900000000-64aa3aa84b2db63eed64JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00e9-6900000000-3c74d98fcf51b2cf803cJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0089-9400000000-aaef8b05f741bc65c2eeJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0900000000-4e7ef1e35e69f37df97bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0900000000-4e7ef1e35e69f37df97bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0900000000-4e7ef1e35e69f37df97bJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID516919
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBT04-F:KBT04-F
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 IDSodium_hydrogen_sulfate
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