thorium(4+) ion tetraacetate

• ChemBase ID: 107777
• Molecular Formular: C8H12O8Th
• Molecular Mass: 468.21418
• Monoisotopic Mass: 468.09127234
• SMILES: [Th+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Th+4]
• InChI: InChI=1S/4C2H4O2.Th/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4
• InChIKey: FZEQUXXYNBTTLM-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: thorium(4+) ion tetraacetate
• IUPAC Traditional name: thorium(4+) ion tetrakis(acetate ion)
• Synonyms: THORIUM ACETATE

Database IDs

• PubChem SID: 162106139
• PubChem CID: 14029874

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

DETAILS

MP Biomedicals - 05205003

MP Biomedicals Rare Chemical collection