triammonium dodecakis(trioxomolybdenum) phosphate

• ChemBase ID: 303058
• Molecular Formular: H12Mo12N3O40P
• Molecular Mass: 1876.585141
• Monoisotopic Mass: 1899.73836483
• SMILES: [NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
• Canonical SMILES: [O-]P(=O)([O-])[O-].O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.[NH4+].[NH4+].[NH4+]
• InChI: InChI=1S/12Mo.3H3N.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;3*1H3;(H3,1,2,3,4)
• InChIKey: RIAJLMJRHLGNMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triammonium dodecakis(trioxomolybdenum) phosphate
• IUPAC Traditional name: triammonium dodecakis(molybdenum trioxide) phosphate
• Synonyms: Ammonium molybdophosphate; Ammonium phosphomolybdate hydrate, Reagent Grade; 磷钼酸铵水合物, 试剂级

Database IDs

• CAS Number: 54723-94-3
• EC Number: 234-714-0
• MDL Number: MFCD00036312

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: dec.
• Density: 3.15

Safety Information

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