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12333-11-8 molecular structure
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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 and InChIs

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

Cite this record

CBID:145464 http://www.chembase.cn/molecule-145464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
12333-11-8
EC Number
234-733-4
MDL Number
MFCD00150662
PubChem SID
24870120
24850262
24846525
24862043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.30103  H Acceptors 23 
H Donor LogD (pH = 5.5) -15.282087 
LogD (pH = 7.4) -16.253475  Log P -4.9502 
Molar Refractivity 65.1137 cm3 Polarizability 122.93168 Å3
Polar Surface Area 574.8 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
powder expand Show data source
Melting Point
100 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-41-52/53 expand Show data source
Safety Statements
26-39-60 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥66.5% (W) expand Show data source
≥85% WO3 basis (gravimetric) expand Show data source
≥99.0% expand Show data source
≥99.0% WO3 basis (based on calcined substance, gravimetric) expand Show data source
99.99% trace metals basis expand Show data source
Grade
puriss. p.a. expand Show data source
Impurities
≤0.005% water-insoluble matter expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤10 mg/kg expand Show data source
Na: ≤10 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Loss on Drying
<15% loss on ignition expand Show data source
≤15% loss on ignition expand Show data source
Linear Formula
(NH4)6H2W12O40 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 10035 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 463922 external link
Packaging
25 g in poly bottle
Sigma Aldrich - 358975 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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