Calcium levulinate dihydrateProduct ingredient for Calcium levulinate
- Name
- Calcium levulinate dihydrate
- Drug Entry
- Calcium levulinate
The relatively new calcium levulinate is produced from a direct reaction between L- or levulinic acid levulose and calcium hydroxide 3. The resultant calcium levulinate formulation, when used as a calcium supplement, possesses a high calcium content that is observed to be 14.8% higher than the content typically found in calcium lactate 3. This formulation is considered a low molecular weight organic calcium ion type that is easily absorbed through the intestinal wall 3.
This new application of calcium is intended for use as a food fortifier, to fortify foods like sauces, condiments, beer, beverages, soft drinks, milk and milk products, soy milk and soy products with calcium nutrition 3. Calcium levulinate can be used alone, or with calcium lactate, calcium chloride, and other compounds, either for pharmaceutical tablets, capsules, or injections preparation 3.
- Accession Number
- DBSALT003022
- Structure
Structure for Calcium levulinate dihydrate (DBSALT003022)
- Synonyms
- Calcium levulinate / Calcium levulinate (1:2) dihydrate
- UNII
- T6133SO781
- CAS Number
- 5743-49-7
- Weight
- Average: 306.324
Monoisotopic: 306.0627584 - Chemical Formula
- C10H18CaO8
- InChI Key
- WQFDRFDIWAMOPA-UHFFFAOYSA-L
- InChI
- InChI=1S/2C5H8O3.Ca.2H2O/c2*1-4(6)2-3-5(7)8;;;/h2*2-3H2,1H3,(H,7,8);;2*1H2/q;;+2;;/p-2
- IUPAC Name
- calcium bis(4-oxopentanoate) dihydrate
- SMILES
- O.O.[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
- External Links
- ChemSpider
- 61907
- ChEMBL
- CHEMBL3186421
- Predicted Properties
Property Value Source Water Solubility 1.82 mg/mL ALOGPS logP 0.76 ALOGPS logP -0.069 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 4.32 Chemaxon pKa (Strongest Basic) -7.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.2 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 37.93 m3·mol-1 Chemaxon Polarizability 10.79 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon