dilithium(1+) ion 2,3-dihydroxybutanedioate

• ChemBase ID: 106777
• Molecular Formular: C4H4Li2O6
• Molecular Mass: 161.95296
• Monoisotopic Mass: 162.03279695
• SMILES: [Li+].[Li+].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[Li+].[Li+]
• InChI: InChI=1S/C4H6O6.2Li/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
• InChIKey: JCCYXJAEFHYHPP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion 2,3-dihydroxybutanedioate
• IUPAC Traditional name: diLithoTab tartrate
• Synonyms: LITHIUM TARTRATE

Database IDs

• CAS Number: 30903-88-9
• PubChem SID: 162087324
• PubChem CID: 10176260

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201392

MP Biomedicals Rare Chemical collection