digadolinium(3+) ion tris(dioxotungstenbis(olate))

• ChemBase ID: 112596
• Molecular Formular: Gd2O12W3
• Molecular Mass: 1058.0128
• Monoisotopic Mass: 1059.63997444
• SMILES: [Gd+3].[Gd+3].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-]
• Canonical SMILES: [O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[Gd+3].[Gd+3]
• InChI: InChI=1S/2Gd.12O.3W/q2*+3;;;;;;;6*-1
• InChIKey: AXGPKGNJFCYCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: digadolinium(3+) ion tris(dioxotungstenbis(olate))
• IUPAC Traditional name: digadolinium(3+) tritungstate
• Synonyms: GADOLINIUM TUNGSTATE

Database IDs

• PubChem SID: 162106708
• PubChem CID: 25021695

CALCULATED PROPERTIES

• Acid pKa: 12.50004
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7752
• LogD (pH = 7.4): -1.7752035
• Log P: -1.7752
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 10.616612 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05224810

MP Biomedicals Rare Chemical collection