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Showing Compound Sodium lactate (FDB000880)

Record Information
Version1.0
Creation date2010-04-08 22:04:45 UTC
Update date2018-05-29 00:31:02 UTC
Primary IDFDB000880
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium lactate
Descriptionsodium lactate, also known as mediject L or E325, belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Based on a literature review a significant number of articles have been published on sodium lactate.
CAS Number72-17-3
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
2-Hydroxypropanoic acid, monosodium saltChEBI
e325ChEBI
Lactic acid sodium saltChEBI
Lactic acid, monosodium saltChEBI
Mediject LChEBI
Monosodium 2-hydroxypropanoateChEBI
Monosodium lactateChEBI
Sodium alpha-hydroxypropionateChEBI
2-Hydroxypropanoate, monosodium saltGenerator
Lactate sodium saltGenerator
Lactate, monosodium saltGenerator
Monosodium 2-hydroxypropanoic acidGenerator
Monosodium lactic acidGenerator
Sodium a-hydroxypropionateGenerator
Sodium a-hydroxypropionic acidGenerator
Sodium alpha-hydroxypropionic acidGenerator
Sodium α-hydroxypropionateGenerator
Sodium α-hydroxypropionic acidGenerator
Sodium lactic acidGenerator
(+/-)-2-Hydroxypropionic acid sodium saltbiospider
DL-lactic acid sodium saltbiospider
E325db_source
Gynaegnostdb_source
Lacolindb_source
Lactic acid monosodium saltbiospider
Lactic acid, monosodium salt (8CI)biospider
Propanoic acid, 2-hydroxy-, monosodium salt (9CI)biospider
Propanoic acid, 2-hydroxy-, sodium salt (1:1)biospider
Sodium α-hydroxypropionatebiospider
Sodium DL-lactatebiospider
Sodium lactate, JAN, USANdb_source
Predicted Properties
PropertyValueSource
Water Solubility851 g/LALOGPS
logP-0.61ALOGPS
logP-0.47ChemAxon
logS0.88ALOGPS
pKa (Strongest Acidic)3.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity29.68 m³·mol⁻¹ChemAxon
Polarizability7.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC3H5NaO3
IUPAC namesodium 2-hydroxypropanoate
InChI IdentifierInChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
InChI KeyNGSFWBMYFKHRBD-UHFFFAOYSA-M
Isomeric SMILES[Na+].CC(O)C([O-])=O
Average Molecular Weight112.0598
Monoisotopic Molecular Weight112.013638701
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
  • Secondary alcohol
  • 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
  • Organic zwitterion
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • 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 CompositionC 32.15%; H 4.50%; Na 20.52%; O 42.83%DFC
Melting Point< 25 oC
Boiling PointNot Available
Experimental Water Solubility1000 mg/mLMERCK INDEX (1996)
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03ka-9400000000-77ca91f3e66942cc303bSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9100000000-8adc82e836e32f7c8421Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-eb935febdf594961d781Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0229-9600000000-c0b94688a9cb54c26b2bSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0229-9500000000-65a722c8324eaa710534Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9000000000-69b267c1c4089d08c9d4Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC13960
Pubchem Compound ID23666456
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDCVR18-C:BLO82-Z
EAFUS ID3447
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1019021
SuperScent IDNot Available
Wikipedia IDSodium_lactate
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
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference