lanthanum(3+) ion triacetate

• ChemBase ID: 109235
• Molecular Formular: C6H9LaO6
• Molecular Mass: 316.03756
• Monoisotopic Mass: 315.94626601
• SMILES: [La+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[La+3]
• InChI: InChI=1S/3C2H4O2.La/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: JLRJWBUSTKIQQH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion triacetate
• IUPAC Traditional name: lanthanum(3+) tris(acetate ion)
• Synonyms: LANTHANUM ACETATE

Database IDs

• CAS Number: 917-70-4
• EC Number: 231-099-0
• PubChem SID: 162094972
• PubChem CID: 13511

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AI5075000