Calcium citrate tetrahydrateProduct ingredient for Calcium citrate
- Name
- Calcium citrate tetrahydrate
- Drug Entry
- Calcium citrate
Calcium citrate is a salt typically used as a source of calcium in a variety of over the counter supplements.
- Accession Number
- DBSALT001949
- Structure
Structure for Calcium citrate tetrahydrate (DBSALT001949)
- Synonyms
- calcimax / calcium citrate / calcium citrate (3:2), tetrahydrate / citracal / tricalcium dicitrate tetrahydrate
- UNII
- MLM29U2X85
- CAS Number
- 5785-44-4
- Weight
- Average: 570.492
Monoisotopic: 569.9370864 - Chemical Formula
- C12H18Ca3O18
- InChI Key
- LNIZKKFWMDARJV-UHFFFAOYSA-H
- InChI
- InChI=1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6
- IUPAC Name
- tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate
- SMILES
- O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
- External Links
- ChemSpider
- 4445549
- Predicted Properties
Property Value Source Water Solubility 4.12 mg/mL ALOGPS logP 0.13 ALOGPS logP -1.3 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 3.05 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 140.62 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 68.14 m3·mol-1 Chemaxon Polarizability 14.23 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon