zirconium(4+) ion dilithium(1+) ion tris(oxo-$l^{5}-silanebis(olate))

• ChemBase ID: 111802
• Molecular Formular: Li2O9Si3Zr
• Molecular Mass: 333.3571
• Monoisotopic Mass: 331.82172428
• SMILES: [Li+].[Li+].[Zr+4].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
• Canonical SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Li+].[Li+].[Zr+4]
• InChI: InChI=1S/2Li.3O3Si.Zr/c;;3*1-4(2)3;/q2*+1;3*-2;+4
• InChIKey: PNERWGFWKVAKGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion dilithium(1+) ion tris(oxo-$l^{5}-silanebis(olate))
• IUPAC Traditional name: zirconium(4+) ion diLithoTab tris(oxo-$l^{5}-silanebis(olate))
• Synonyms: LITHIUM ZIRCONIUM SILICATE

Database IDs

• PubChem SID: 162106653
• PubChem CID: 25113475

CALCULATED PROPERTIES

• Acid pKa: 5.0607214
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.8673346
• LogD (pH = 7.4): -4.3006554
• Log P: -2.2998
• Molar Refractivity: 5.1287 cm^3
• Polarizability: 4.9017777 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221090

MP Biomedicals Rare Chemical collection