tetrasodium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatridecan-7-yl}oxy)-3,3,5,5-tetraoxotritungstoxan-1-oylolate

• ChemBase ID: 112523
• Molecular Formular: Na4O40SiW12
• Molecular Mass: 2966.10058
• Monoisotopic Mass: 2967.14376046
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-][W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[Si](O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])(O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-]
• Canonical SMILES: O=[W](=O)(O[W](=O)(=O)O[W](=O)(=O)[O-])O[Si](O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])(O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/4Na.O4Si.36O.12W/c;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q4*+1;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*-1;;;;;;;;;4*+1
• InChIKey: IUPRZHYPMQJZQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrasodium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatridecan-7-yl}oxy)-3,3,5,5-tetraoxotritungstoxan-1-oylolate
• IUPAC Traditional name: tetrapotassium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatridecan-7-yl}oxy)-3,3,5,5-tetraoxotritungstoxan-1-oylolate
• Synonyms: SODIUM SILICOTUNGSTATE

Database IDs

• CAS Number: 12027-47-3
• PubChem SID: 162097344
• PubChem CID: 25113564

CALCULATED PROPERTIES

• Acid pKa: 11.861755
• H Acceptors: 28
• H Donor: 0
• LogD (pH = 5.5): -7.78
• LogD (pH = 7.4): -7.780015
• Log P: -7.78
• Molar Refractivity: 56.6036 cm^3
• Polarizability: 122.892166 Å^3
• Polar Surface Area: 612.68 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05224517

MP Biomedicals Rare Chemical collection