Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2018-05-29 01:18:42 UTC
Primary IDFDB015398
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium disulfite
DescriptionSodium disulfite belongs to the class of inorganic compounds known as alkali metal sulfites. These are inorganic compounds in which the largest oxoanion is sulfite, and in which the heaviest atom not in an oxoanion is an alkali metal. Sodium disulfite is an extremely strong acidic compound (based on its pKa).
CAS Number7681-57-4
Structure
Thumb
Synonyms
SynonymSource
Sodium disulphiteGenerator
Disodium disulfitebiospider
Disodium disulphitebiospider
Disulfurous acid disodium salt, 9CIdb_source
Disulfurous acid, sodium salt (1:2)biospider
E223db_source
Pyrosulfurous acid disodium salt, 8CIdb_source
Sodium bisulfite anhydrousbiospider
Sodium disulfate(IV)db_source
Sodium metabisulfite, USANdb_source
Sodium metabisulphitebiospider
Sodium pyrosulfite (Na2S2O5)biospider
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area89.49 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity18.63 m³·mol⁻¹ChemAxon
Polarizability9.27 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaNa2O5S2
IUPAC namedisodium (sulfinatooxy)sulfinate
InChI IdentifierInChI=1S/2Na.H2O5S2/c;;1-6(2)5-7(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2
InChI KeyLDTLADDKFLAYJA-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].[O-]S(=O)OS([O-])=O
Average Molecular Weight190.107
Monoisotopic Molecular Weight189.89825384
Classification
Description belongs to the class of inorganic compounds known as alkali metal sulfites. These are inorganic compounds in which the largest oxoanion is sulfite, 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 sulfites
Direct ParentAlkali metal sulfites
Alternative Parents
Substituents
  • Alkali metal sulfite
  • 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 CompositionNa 24.19%; O 42.08%; S 33.73%DFC
Melting PointNot Available
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, Positivesplash10-0006-0900000000-f32c88c74cf2595d4b17JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-2900000000-fe99c306ee684db597cdJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-006x-9800000000-ce94606eb596f27cbb5aJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID656671
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBT50-Q:KBT50-Q
EAFUS ID3451
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_metabisulfite
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