molybdenum(6+) ion hexaammonium tri[(oxidodioxomolybdenio)oxy]molybdenumoylolate trioxidandiide

• ChemBase ID: 295301
• Molecular Formular: H24Mo7N6O24
• Molecular Mass: 1163.93636
• Monoisotopic Mass: 1177.42205168
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[Mo+6]
• Canonical SMILES: [O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)O[Mo](=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[Mo+6]
• InChI: InChI=1S/7Mo.6H3N.24O/h;;;;;;;6*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;+6;;;;;;;;;;;;;;;;;;;;;;3*-2;6*-1/p+6
• InChIKey: JZCVTWQSZAWBFA-UHFFFAOYSA-T

NAMES AND DATABASE IDS

Names

• IUPAC name: molybdenum(6+) ion hexaammonium tri[(oxidodioxomolybdenio)oxy]molybdenumoylolate trioxidandiide
• IUPAC Traditional name: molybdenum(6+) ion hexaammonium tris(dimolybdate(2-)) trioxidandiide
• Synonyms: Ammonium heptamolybdate tetrahydrate; Ammonium paramolybdate tetrahydrate; Ammonium molybdate (para) tetrahydrate; 四水合钼 (para)酸铵

Database IDs

• CAS Number: 12054-85-2
• EC Number: 234-722-4
• MDL Number: MFCD00167059
• Merck Index: 14533
• PubChem SID: 180680832
• PubChem CID: 73995023

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -6.734395
• LogD (pH = 7.4): -6.7344
• Log P: -2.2068
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 14.724128 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ca 190°C dec.
• Density: 2.498

Safety Information

• RTECS: QA4900000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%

REFERENCES

• The combination with hydrogen peroxide is a system for the ambient temperature oxidative cleavage of epoxides to form ɑ-hydroxy ketones: Chem. Lett., 844 (2000).