diyttrium(1+) ion oxozirconiumbis(olate)

• ChemBase ID: 112789
• Molecular Formular: O3Y2Zr
• Molecular Mass: 317.0339
• Monoisotopic Mass: 315.70114386
• SMILES: [Y+].[Y+].[O-][Zr](=O)[O-]
• Canonical SMILES: [O-][Zr](=O)[O-].[Y+].[Y+]
• InChI: InChI=1S/3O.2Y.Zr/q;2*-1;2*+1
• InChIKey: CGGAOXASGNUGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diyttrium(1+) ion oxozirconiumbis(olate)
• IUPAC Traditional name: diyttrium(1+) ion oxozirconiumbis(olate)
• Synonyms: YTTRIUM ZIRCONATE

Database IDs

• PubChem SID: 162106782
• PubChem CID: 25147474

CALCULATED PROPERTIES

• Acid pKa: 13.332832
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4238
• LogD (pH = 7.4): -1.4238005
• Log P: -1.4238
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 6.8657103 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225835

MP Biomedicals Rare Chemical collection