dilithium(1+) ion butanedioate

• ChemBase ID: 128088
• Molecular Formular: C4H4Li2O4
• Molecular Mass: 129.95416
• Monoisotopic Mass: 130.04296771
• SMILES: [Li+].[Li+].[O-]C(=O)CCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCC(=O)[O-].[Li+].[Li+]
• InChI: InChI=1S/C4H6O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
• InChIKey: WAHQBNXSPALNEA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion butanedioate
• IUPAC Traditional name: dilithium(1+) ion succinate
• Synonyms: Lithium succinate

Database IDs

• PubChem SID: 162222402
• PubChem CID: 10197702
• ATC CODE: D11AX04
• Chemspider ID: 8373202
• Wikipedia Title: Lithium_succinate

CALCULATED PROPERTIES

• Acid pKa: 3.5541666
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5536554
• LogD (pH = 7.4): -5.4738803
• Log P: -0.39848298
• Molar Refractivity: 45.2112 cm^3
• Polarizability: 9.14473 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true