Record Information
Version1.0
Creation date2010-04-08 22:09:03 UTC
Update date2018-05-28 23:27:22 UTC
Primary IDFDB010279
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium sesquicarbonate
DescriptionSodium sesquicarbonate is a very weakly acidic compound (based on its pKa).
CAS Number533-96-0
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP0.25ChemAxon
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.17 m³·mol⁻¹ChemAxon
Polarizability3.52 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC2Na3O6
IUPAC nametrisodium dicarbonate
InChI IdentifierInChI=1S/2CH2O3.3Na.3H/c2*2-1(3)4;;;;;;/h2*(H2,2,3,4);;;;;;/p-4
InChI KeyASSSVEAZABOIBE-UHFFFAOYSA-J
Isomeric SMILES[Na].[Na].[Na].[O-]C([O-])=O.[O-]C([O-])=O
Average Molecular Weight188.9871
Monoisotopic Molecular Weight188.938796757
Classification
ClassificationNot classified
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID10791
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID3474
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