Record Information
Version1.0
Creation date2010-04-08 22:09:02 UTC
Update date2018-05-28 23:27:19 UTC
Primary IDFDB010268
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium formate
DescriptionSodium formate, also known as sodium methanoate or formate, na salt, belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Sodium formate is a weakly acidic compound (based on its pKa).
CAS Number141-53-7
Structure
Thumb
Synonyms
SynonymSource
FORMIC ACID, na saltChEBI
Formic acid, sodium saltChEBI
Formic acid, sodium salt (1:1)ChEBI
Sodium formiateChEBI
Sodium methanoateChEBI
FORMate, na saltGenerator
Formate, sodium saltGenerator
Formate, sodium salt (1:1)Generator
Sodium formiic acidGenerator
Sodium methanoic acidGenerator
Sodium formic acidGenerator
Formic acid, na saltbiospider
Predicted Properties
PropertyValueSource
Water Solubility734 g/LALOGPS
logP-0.58ALOGPS
logP-0.27ChemAxon
logS1.03ALOGPS
pKa (Strongest Acidic)4.27ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity18.99 m³·mol⁻¹ChemAxon
Polarizability3.04 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCHNaO2
IUPAC namesodium formate
InChI IdentifierInChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
InChI KeyHLBBKKJFGFRGMU-UHFFFAOYSA-M
Isomeric SMILES[Na+].[O-]C=O
Average Molecular Weight68.0072
Monoisotopic Molecular Weight67.987423951
Classification
Description belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid salts
Alternative Parents
Substituents
  • Carboxylic acid salt
  • Organic alkali metal salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
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, Positivesplash10-014i-9000000000-196b3df1d9e09bf01979JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-1cd25d7243d15b9dc8dfJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00or-9000000000-3701c5d4557071edab40JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-03b85f90d9e2cec5251eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-03b85f90d9e2cec5251eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-03b85f90d9e2cec5251eJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID2723810
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 ID3437
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