CALCIUM LACTATE
Relevant Data
Food Additives Approved by WHO:
Food Additives Approved by European Union:
General Information
| Mainterm | CALCIUM LACTATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 814-80-2 |
| Regnum |
150.141 150.161 145.145 184.1207 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 13144 |
| IUPAC Name | calcium;2-hydroxypropanoate |
| InChI | InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 |
| InChI Key | MKJXYGKVIBWPFZ-UHFFFAOYSA-L |
| Canonical SMILES | CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2] |
| Molecular Formula | (C3H5O2)2Ca·nH2O (n = 0 - 5) |
| Wikipedia | L-calcium lactate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 218.218 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Complexity | 53.5 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g O 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 C 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 A A A A A A A A A A A A A A B 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 A = = |
| Topological Polar Surface Area | 121.0 |
| Monoisotopic Mass | 218.01 |
| Exact Mass | 218.01 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| 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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid salts |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Secondary alcohol - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. |
From ClassyFire