disodium hexafluoropentanedioate

• ChemBase ID: 111252
• Molecular Formular: C5F6Na2O4
• Molecular Mass: 284.0210592
• Monoisotopic Mass: 283.94961636
• SMILES: [Na+].[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(C(C(C(=O)[O-])(F)F)(F)F)(F)F.[Na+].[Na+]
• InChI: InChI=1S/C5H2F6O4.2Na/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15;;/h(H,12,13)(H,14,15);;/q;2*+1/p-2
• InChIKey: FPFJTBQQZWBMAZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium hexafluoropentanedioate
• IUPAC Traditional name: dipotassium hexafluoropentanedioate
• Synonyms: SODIUM HEXAFLUOROGLUTARATE

Database IDs

• PubChem SID: 162106479
• PubChem CID: 13327511

CALCULATED PROPERTIES

• Acid pKa: 1.3780652
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.8069177
• LogD (pH = 7.4): -5.2138515
• Log P: 1.8381766
• Molar Refractivity: 50.1168 cm^3
• Polarizability: 11.226616 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218367

MP Biomedicals Rare Chemical collection