2-[(4-{[4-({4-[(4,4-dihydroxy-2,2-dioxocycloditungstoxan-2-yl)oxy]-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl}oxy)-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl]oxy}-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl)oxy]-4-[(2,4-dihydroxy-2-oxocycloditungstoxan-2-yl)oxy]-2,4,4-trioxocycloditungstoxan-2-ol hexaamine hydrate

• ChemBase ID: 145464
• Molecular Formular: H28N6O41W12
• Molecular Mass: 2974.31792
• Monoisotopic Mass: 2975.44021635
• SMILES: N.N.N.N.N.N.O.O[W]1O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](O1)(O)O
• Canonical SMILES: O[W]1O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](=O)(O1)(O)O[W]1(=O)(=O)O[W](O1)(O)O.N.N.N.N.N.N.O
• InChI: InChI=1S/6H3N.9H2O.32O.12W/h6*1H3;9*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+1;+2/p-8
• InChIKey: ZBHPUDGBNLMJQH-UHFFFAOYSA-F

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-{[4-({4-[(4,4-dihydroxy-2,2-dioxocycloditungstoxan-2-yl)oxy]-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl}oxy)-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl]oxy}-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl)oxy]-4-[(2,4-dihydroxy-2-oxocycloditungstoxan-2-yl)oxy]-2,4,4-trioxocycloditungstoxan-2-ol hexaamine hydrate
• IUPAC Traditional name: 2-[(4-{[4-({4-[(4,4-dihydroxy-2,2-dioxocycloditungstoxan-2-yl)oxy]-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl}oxy)-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl]oxy}-4-hydroxy-2,2,4-trioxocycloditungstoxan-2-yl)oxy]-4-[(2,4-dihydroxy-2-oxocycloditungstoxan-2-yl)oxy]-2,4,4-trioxocycloditungstoxan-2-ol hexaamine hydrate
• Synonyms: Ammonium metatungstate hydrate; 偏钨酸铵 水合物

Database IDs

• CAS Number: 12333-11-8
• EC Number: 234-733-4
• MDL Number: MFCD00150662
• PubChem SID: 24870120; 24846525; 24850262; 24862043

CALCULATED PROPERTIES

• Acid pKa: 2.30103
• H Acceptors: 23
• H Donor: 8
• LogD (pH = 5.5): -15.282087
• LogD (pH = 7.4): -16.253475
• Log P: -4.9502
• Molar Refractivity: 65.1137 cm^3
• Polarizability: 122.93168 Å^3
• Polar Surface Area: 574.8 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: crystalline; powder
• Melting Point: 100 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41-52/53
• Safety Statements: 26-39-60
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥66.5% (W); ≥85% WO3 basis (gravimetric); ≥99.0%; ≥99.0% WO3 basis (based on calcined substance, gravimetric); 99.99% trace metals basis
• Grade: puriss. p.a.
• Impurities: ≤0.005% water-insoluble matter
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤10 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤10 mg/kg; Na: ≤10 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤10 mg/kg
• Loss on Drying: <15% loss on ignition; ≤15% loss on ignition
• Linear Formula: (NH4)6H2W12O40 · xH2O

DETAILS

Sigma Aldrich - 10035

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 463922

Packaging
25 g in poly bottle

Sigma Aldrich - 358975

Packaging
100 g in glass bottle