gallium(3+) ion tritrifluoromethanesulfonate

• ChemBase ID: 94110
• Molecular Formular: C3H3F9GaO9S3
• Molecular Mass: 519.9541488
• Monoisotopic Mass: 518.80512166
• SMILES: [GaH3+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[GaH3+3]
• InChI: InChI=1S/3CHF3O3S.Ga/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: BVLXNPRUOXPBII-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gallium(3+) ion tritrifluoromethanesulfonate
• IUPAC Traditional name: gallium(3+) ion tritriflate
• Synonyms: Gallium(III) trifluoromethanesulphonate

Database IDs

• CAS Number: 74974-60-0
• MDL Number: MFCD02093898
• PubChem SID: 162080765
• PubChem CID: 2733940

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3
• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.7

Safety Information

• Storage Warning: Hygroscopic