dodecaoxooctacyclo[21.1.1.11,3.13,5.17,9.111,13.115,17.119,21]dodecatungstoxane-5,7,9,11,13,15,17,19,21,23-decol decaamine

• ChemBase ID: 140255
• Molecular Formular: H40N10O41W12
• Molecular Mass: 3042.44
• Monoisotopic Mass: 3043.54641275
• SMILES: N.N.N.N.N.N.N.N.N.N.O[W]12(=O)O[W]3(=O)(O[W](=O)(O3)(O[W]3(=O)(O[W](=O)(O3)(O[W]3(=O)(O[W]4(=O)(O3)O[W]3(=O)(O4)O[W](=O)(O3)(O[W]3(=O)(O[W](=O)(O3)(O[W](=O)(O1)(O2)O)O)O)O)O)O)O)O)O
• Canonical SMILES: O[W]12(=O)O[W]3(=O)(O1)O[W]1(=O)(O3)O[W](=O)(O1)(O)O[W]1(=O)(O)O[W](=O)(O1)(O)O[W]1(=O)(O[W](=O)(O[W]3(=O)(O[W](=O)(O[W]4(=O)(O[W](=O)(O2)(O)O4)O)(O)O3)O)(O)O1)O.N.N.N.N.N.N.N.N.N.N
• InChI: InChI=1S/10H3N.10H2O.31O.12W/h10*1H3;10*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1/p-10
• InChIKey: LMAJGSPZJYEENT-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecaoxooctacyclo[21.1.1.1^1,^3.1^3,^5.1^7,^9.1^1^1,^1^3.1^1^5,^1^7.1^1^9,^2^1]dodecatungstoxane-5,7,9,11,13,15,17,19,21,23-decol decaamine
• IUPAC Traditional name: dodecaoxooctacyclo[21.1.1.1^1,^3.1^3,^5.1^7,^9.1^1^1,^1^3.1^1^5,^1^7.1^1^9,^2^1]dodecatungstoxane-5,7,9,11,13,15,17,19,21,23-decol decaamine
• Synonyms: Ammonium tungstate; Ammonium (para)tungstate hydrate; 钨酸铵; 偏钨酸铵 水合物

Database IDs

• CAS Number: 11120-25-5; 11140-77-5
• EC Number: 234-364-9
• MDL Number: MFCD00015956
• PubChem SID: 162234499
• PubChem CID: 71306883

CALCULATED PROPERTIES

• Acid pKa: 2.09691
• H Acceptors: 23
• H Donor: 10
• LogD (pH = 5.5): -20.95702
• LogD (pH = 7.4): -22.51124
• Log P: -4.426
• Molar Refractivity: 68.6146 cm^3
• Polarizability: 123.90477 Å^3
• Polar Surface Area: 582.51 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)
• Density: 2.3 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 99.99% trace metals basis
• Linear Formula: (NH4)10H2(W2O7)6; (NH4)10H2(W2O7)6 · xH2O

DETAILS

Sigma Aldrich - 510114

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 322385

Analysis Note
Purity excludes ~2000 ppm Mo.
Packaging
10, 50 g in glass bottle
Physical form
Soluble form