CALCIUM GLUCONATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | CALCIUM DI-D-GLUCONATE MONOHYDRATE |
| CAS number: | 299-28-5 |
| INS: | 578 |
| Functional Class: |
Food Additives ACIDITY_REGULATOR SEQUESTRANT FIRMING_AGENT NUTRIENT_SUPPLEMENT |
From apps.who.int
Evaluations
| Evaluation year: | 1998 |
| ADI: | NOT SPECIFIED |
| Meeting: | 29 |
| Specs Code: | N (1974) |
| Comments: | Group ADI for glucono delta-lactone, calcium gluconate, magnesium gluconate, potassium gluconate, and sodium gluconate |
| Report: | TRS 891-JECFA 51/46 |
| Tox Monograph: | FAS 42-JECFA 51/203 |
| Specification: | COMPENDIUM ADDENDUM 6/FNP 52 Add.6/9; FAO JECFA Monographs 1 vol.1/231 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 9290 |
| IUPAC Name | calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI | InChI=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/t2*2-,3-,4+,5-;/m11./s1 |
| InChI Key | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| Canonical SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2] |
| Molecular Formula | C12H22CaO14(anhydrous); C12H22CaO14· H2O (monohydrate) |
| Wikipedia | calcium gluconate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 430.372 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Complexity | 165.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w P A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Y A A A A A Q A A F I A A B A A H K b A R A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 283.0 |
| Monoisotopic Mass | 430.064 |
| Exact Mass | 430.064 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar acids and derivatives |
| Alternative Parents |
|
| Molecular Framework | Not available |
| Substituents | Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic salt - Organic zwitterion - Carbonyl group - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. |
From ClassyFire