SODIUM ASCORBATE (CED0000693)

Record Information
Version1.0
Creation Date2016-05-19 02:26:13 UTC
Update Date2026-05-14 19:42:22 UTC
Accession NumberCHEM007488
Identification
Common NameSODIUM ASCORBATE
ClassSmall Molecule
Description
Sodium ascorbate is an organic compound with the formula C6H7NaO6 and an average molecular weight of 198.11 g/mol. SODIUM ASCORBATE belongs to the furanones, a subclass of dihydrofurans within the organic compounds. This compound serves numerous industrial and biological roles, acting as an antioxidant (PMC8471179, PMC10067997, PMC10642277, PMC3915379) and a reducing agent (PMC6270934, PMC8196910, PMC3915379). In industrial applications, it is utilized as a pharmaceutical, dye, fragrance, and food preservative. It further functions as a pH regulating agent, leavening agent, filler, surface modifier, processing aid not otherwise specified, and as a nutrient and flavouring. Additionally, it is used as an oxidizing agent. Sodium ascorbate is found in or released from 15 recorded sources. Within the category of food, food processing, and cookware, it is associated with the preparation of malt, vinegar, and wort, as well as molasses and the treatment of molasses and agglomerated sugar products, among two others. In the building and construction sector, it is found in roofs. It is also present in drinking water and water supply. Recorded occurrences in electrical and electronic equipment include antennas, cores yokes or armatures, and superconductive or hyperconductive conductors cables or transmission lines. Household cleaning and consumer product sources include pipe accessories, tobacco product cases, and other smoking requisites. The recorded exposure route for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Ascorbate de sodiumChEBI
Ascorbic acid sodium saltChEBI
L-Ascorbic acid sodium saltChEBI
L-Ascorbic acid, monosodium saltChEBI
Monosodium L-ascorbateChEBI
Natrii ascorbasChEBI
Sodium L-ascorbateChEBI
Vitamin C sodiumChEBI
Vitamin C, sodium saltChEBI
Ascorbic acid de sodiumGenerator
Ascorbate sodium saltGenerator
L-Ascorbate sodium saltGenerator
L-Ascorbate, monosodium saltGenerator
Monosodium L-ascorbic acidGenerator
Sodium L-ascorbic acidGenerator
Sodium ascorbic acidGenerator
Ascorbic acidMeSH
Vitamin CMeSH
L-Ascorbic acidMeSH
Ascorbate, ferrousMeSH
Acid, L-ascorbicMeSH
L Ascorbic acidMeSH
Ascorbic acid, monosodium saltMeSH
Ascorbate, magnesiumMeSH
Magnesium di-L-ascorbateMeSH
Ferrous ascorbateMeSH
Magnesium ascorbicumMeSH
MagnorbinMeSH
Magnesium ascorbateMeSH
Magnesium di L ascorbateMeSH
Acid, ascorbicMeSH
Ascorbate, sodiumMeSH
HybrinMeSH
Di-L-ascorbate, magnesiumMeSH
Chemical FormulaC6H7NaO6
Average Molecular Mass198.106 g/mol
Monoisotopic Mass198.014 g/mol
CAS Registry Number134-03-2
IUPAC Namesodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate
Traditional Namesodium vitamin-C
SMILES[Na+].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1[O-]
InChI IdentifierInChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
InChI KeyPPASLZSBLFJQEF-RXSVEWSESA-M
Chemical Taxonomy
Description Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDihydrofurans
Sub ClassFuranones
Direct ParentButenolides
Alternative Parents
Substituents
  • 2-furanone
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Vinylogous acid
  • 1,2-diol
  • Carboxylic acid ester
  • Lactone
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Oxacycle
  • Organic alkali metal salt
  • Hydrocarbon derivative
  • Organic oxide
  • Organic zwitterion
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Carbonyl group
  • Organic salt
  • Organic sodium salt
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility625 g/LALOGPS
logP-1.4ALOGPS
logP-1.9ChemAxon
logS0.5ALOGPS
pKa (Strongest Acidic)4.36ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area110.05 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity47.58 m³·mol⁻¹ChemAxon
Polarizability14.52 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-2900000000-fc141e488ccca1c10129Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9600000000-b363c6437b12a3c96bacNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9100000000-acc06a606890c609db0cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0901-0900000000-9f46f385650effd1d8abNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-2900000000-740e9f520cbcceca4418Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-9300000000-9b48f07c8a81eebb9aa7Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
6649.0Log mg/kg[3700:12000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
499RoofsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, food processing & cookwareNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
584BuoysMarine, shipping & aquacultureNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)348.764
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)4747.09
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)563.94
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)1087.86
Click to view 3D structureBeta-lactamase SHV-55Q4TVR4Klebsiella pneumoniaePredicted (SEA)9.809
Click to view 3D structureThymidylate synthase ThyAP9WFR9Mycobacterium tuberculosisPredicted (SEA)34.4872
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)5102.0
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)222.337
Click to view 3D structureNAD(P)H dehydrogenase [quinone] 1P05982Rattus norvegicusPredicted (SEA)163.795
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)4553.63
Click to view 3D structureTyrosinaseO42713Agaricus bisporusPredicted (SEA)721.195
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)4601.67
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)1288.02
Click to view 3D structureNADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11Q8HXG6Bos taurusPredicted (SEA)12.8451
Click to view 3D structureUreaseP07374Canavalia ensiformisPredicted (SEA)62.6686
Click to view 3D structureM-phase inducer phosphatase 2P30306Mus musculusPredicted (SEA)49.59
Click to view 3D structurePotassium channel subfamily K member 2Q920B6Rattus norvegicusPredicted (SEA)94.0419
M-phase inducer phosphatase 2 structureClick to view 3D structureM-phase inducer phosphatase 2P30305HumansPredicted (SEA)1553.95
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)5787.54
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)4092.38
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)6.69503
Click to view 3D structureVitamin K epoxide reductase complex subunit 1Q6TEK4Rattus norvegicusPredicted (SEA)207.235
Interleukin-6 receptor subunit beta structureClick to view 3D structureInterleukin-6 receptor subunit betaP40189HumansPredicted (SEA)50.9912
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)2213.8
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)4896.64
Concentrations
Not Available
External Links
DrugBank IDDBSALT001764
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_ascorbate
Chemspider IDNot Available
ChEBI ID113451
PubChem Compound ID23667548
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=26386330
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=26755225
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=26818978
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=27011749