Lithium citrate tetrahydrateProduct ingredient for Lithium citrate
- Name
- Lithium citrate tetrahydrate
- Drug Entry
- Lithium citrate
- Accession Number
- DBSALT002777
- Structure
- Synonyms
- Lithium citrate / Lithium citrate tetrahydrate (in reverse micelle formulation) / Lithium citrate tetrahydrate (in reverse-micelle formulation) / Lithonate S / Trilithium citrate tetrahydrate
- UNII
- 5Z6E9K79YV
- CAS Number
- 6080-58-6
- Weight
- Average: 281.98
Monoisotopic: 282.09379656 - Chemical Formula
- C6H13Li3O11
- InChI Key
- HXGWMCJZLNWEBC-UHFFFAOYSA-K
- InChI
- InChI=1S/C6H8O7.3Li.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;3*+1;;;;/p-3
- IUPAC Name
- trilithium(1+) 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate
- SMILES
- [Li+].[Li+].[Li+].O.O.O.O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
- External Links
- ChemSpider
- 2006277
- ChEBI
- 64754
- ChEMBL
- CHEMBL2103738
- Predicted Properties
Property Value Source Water Solubility 194.0 mg/mL ALOGPS logP -0.54 ALOGPS logP -1.3 Chemaxon logS -0.04 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 5 Chemaxon Refractivity 68.14 m3·mol-1 Chemaxon Polarizability 14.23 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