λ3-zirconium(3+) ion disodium oxozirconiumtris(ylium) disilicate

• ChemBase ID: 108283
• Molecular Formular: Na2O9Si2Zr2
• Molecular Mass: 428.59314
• Monoisotopic Mass: 425.69703121
• SMILES: [Na+].[Na+].[Zr+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Zr+3]=O
• Canonical SMILES: [O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Zr+3]=O.[Na+].[Na+].[Zr+3]
• InChI: InChI=1S/2Na.2O4Si.O.2Zr/c;;2*1-5(2,3)4;;;/q2*+1;2*-4;;2*+3
• InChIKey: UKEGTEUOXQUJGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^3-zirconium(3+) ion disodium oxozirconiumtris(ylium) disilicate
• IUPAC Traditional name: λ^3-zirconium(3+) ion disodium oxozirconiumtris(ylium) diorthosilicate
• Synonyms: SODIUM ZIRCONIUM SILICATE

Database IDs

• CAS Number: 12027-83-7
• PubChem SID: 162094357
• PubChem CID: 0

CALCULATED PROPERTIES

• Acid pKa: 9.822076
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6008205
• LogD (pH = 7.4): -2.6024313
• Log P: -2.6008
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 5.5141354 Å^3
• Polar Surface Area: 92.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206783

MP Biomedicals Rare Chemical collection