tungsten(6+) ion hexaammonium hexaoxotritungstoxane-1,5-bis(olate) bis(octaoxotetratungstoxane-1,7-bis(olate)) hydrate trioxidandiide

• ChemBase ID: 303820
• Molecular Formular: H26N6O40W12
• Molecular Mass: 2956.30264
• Monoisotopic Mass: 2957.42965166
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.[O-2].[O-2].[O-2].[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[W](=O)(=O)[O-].[O-][W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].[W+6]
• Canonical SMILES: [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[W](=O)(=O)[O-].[O-][W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.[O-2].[O-2].[O-2].[W+6]
• InChI: InChI=1S/6H3N.H2O.39O.12W/h6*1H3;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*-2;6*-1;;;;;;;;;;;;+6/p+6
• InChIKey: MQMQFWFTJMIARS-UHFFFAOYSA-T

NAMES AND DATABASE IDS

Names

• IUPAC name: tungsten(6+) ion hexaammonium hexaoxotritungstoxane-1,5-bis(olate) bis(octaoxotetratungstoxane-1,7-bis(olate)) hydrate trioxidandiide
• IUPAC Traditional name: tungsten(6+) ion hexaammonium hexaoxotritungstoxane-1,5-bis(olate) bis(octaoxotetratungstoxane-1,7-bis(olate)) hydrate trioxidandiide
• Synonyms: Ammonium metatungstate hydrate; Ammonium tungsten oxide hydrate; 钨酸铵水合物

Database IDs

• CAS Number: 12028-48-7
• EC Number: 234-733-4
• MDL Number: MFCD00042673

CALCULATED PROPERTIES

• Acid pKa: -2.3009875
• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): -7.597595
• LogD (pH = 7.4): -7.5976
• Log P: -3.07
• Molar Refractivity: 18.4796 cm^3
• Polarizability: 39.971226 Å^3
• Polar Surface Area: 210.37 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in water. Insoluble in alcohol
• Apperance: Powder

Safety Information

• TSCA Listed: 是