dilithium(1+) ion 2,3-dihydroxybutanedioate hydrate

• ChemBase ID: 303352
• Molecular Formular: C4H6Li2O7
• Molecular Mass: 179.96824
• Monoisotopic Mass: 180.04336163
• SMILES: [Li+].[Li+].C(C(C(=O)[O-])O)(C(=O)[O-])O.O
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[Li+].[Li+].O
• InChI: InChI=1S/C4H6O6.2Li.H2O/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;1H2/q;2*+1;/p-2
• InChIKey: GNDOSKKVQUGWFB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion 2,3-dihydroxybutanedioate hydrate
• IUPAC Traditional name: dilithium(1+) ion hydrate tartrate
• Synonyms: Tartaric acid lithium salt monohydrate; Lithium tartrate monohydrate; 酒石酸锂单水合物

Database IDs

• CAS Number: 6108-32-3
• EC Number: 212-772-8
• MDL Number: MFCD00054421

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

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Powder/Aggregates

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%