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
ChemSpider
2006277
ChEBI
64754
ChEMBL
CHEMBL2103738
Predicted Properties
PropertyValueSource
Water Solubility194.0 mg/mLALOGPS
logP-0.54ALOGPS
logP-1.3Chemaxon
logS-0.04ALOGPS
pKa (Strongest Acidic)3.05Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge-3Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area140.62 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity68.14 m3·mol-1Chemaxon
Polarizability14.23 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon