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Showing Compound Calcium gluconate (FDB001981)

Record Information
Version1.0
Creation date2010-04-08 22:05:11 UTC
Update date2025-11-18 22:34:10 UTC
Primary IDFDB001981
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium gluconate
DescriptionFood additive: firming agent, sequestrant, stabiliser, texturiser. Anticaking agent in powdered coffee Calcium gluconate is a mineral supplement. It is the form of calcium most widely used in the treatment of hypocalcemia. Calcium gluconate contains 9.3% calcium. It is also used to counteract an overdose of magnesium sulfate, often administered to pregnant women experiencing premature labor to slow or stop contractions. Excess magnesium sulfate can cause respiratory depression, for which calcium gluconate would be the antidote.
CAS Number299-28-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Calcium bis(2,3,4,5,6-pentahydroxyhexanoic acid)Generator
Calcium gluconic acidGenerator
Calcicoldb_source
Calciofonbiospider
Calcipurbiospider
Calcium bis(d-gluconate)biospider
Calcium d-gluconatebiospider
Calcium D-gluconate (1:2)biospider
Calcium gluconate (usp)biospider
Calcium gluconate [usan:jan]biospider
Calcium gluconate, USANdb_source
Calcium hexagluconatebiospider
Calglucolbiospider
Calglucondb_source
D-Gluconic acid, calcium salt (2:1)biospider
Dragocalbiospider
E578db_source
Ebucinbiospider
Glucalbiospider
Glucobiogenbiospider
Gluconate de calciumbiospider
Gluconato di calciobiospider
Gluconic acid, calcium saltbiospider
Gluconic acid, calcium salt (2:1), D-biospider
Gluconic acid, calcium salt, d-biospider
Kalprenbiospider
Novocalbiospider
Predicted Properties
PropertyValueSource
Water Solubility44.2 g/LALOGPS
logP-2ALOGPS
logP-3.4ChemAxon
logS-0.99ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.28 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity49.11 m³·mol⁻¹ChemAxon
Polarizability16.75 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC12H22CaO14
IUPAC namecalcium bis(2,3,4,5,6-pentahydroxyhexanoate)
InChI IdentifierInChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
InChI KeyNEEHYRZPVYRGPP-UHFFFAOYSA-L
Isomeric SMILES[Ca++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O
Average Molecular Weight430.373
Monoisotopic Molecular Weight430.063546567
Classification
Description Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Monosaccharide
  • Carboxylic acid salt
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organic calcium salt
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Polyol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organic salt
  • Organooxygen compound
  • Alcohol
  • Primary alcohol
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water Solubility33.3 mg/mLMERCK INDEX (1996)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D +8.5 (c, 3.0 in H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider ID4226036
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID9290
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDCBW08-O:CBW13-M
EAFUS ID459
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098091
SuperScent IDNot Available
Wikipedia IDCalcium_gluconate
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