Calcium citrate malateProduct ingredient for Calcium citrate
- Name
- Calcium citrate malate
- 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
- DBSALT003070
- Structure
Structure for Calcium citrate malate (DBSALT003070)
- Synonyms
- CCM
- UNII
- 4BBS3A53GJ
- CAS Number
- 142606-53-9
- Weight
- Average: 670.581
Monoisotopic: 669.8632918 - Chemical Formula
- C16H14Ca4O19
- InChI Key
- YQUQVRHWPYWQRG-UHFFFAOYSA-F
- InChI
- InChI=1S/2C6H8O7.C4H6O5.4Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;;;/q;;;4*+2/p-8
- IUPAC Name
- tetracalcium 2-hydroxybutanedioate bis(2-hydroxypropane-1,2,3-tricarboxylate)
- SMILES
- [Ca++].[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
- External Links
- ChemSpider
- 116963
- Wikipedia
- Calcium_citrate_malate
- Predicted Properties
Property Value Source Water Solubility 0.887 mg/mL ALOGPS logP 0.36 ALOGPS logP -1.3 Chemaxon logS -2.9 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 13 Chemaxon Refractivity 68.14 m3·mol-1 Chemaxon Polarizability 14.23 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon