alumanetriol hexakis(trioxomolybdenum) triamine trihydrate

• ChemBase ID: 112420
• Molecular Formular: AlH18Mo6N3O24
• Molecular Mass: 1046.890158
• Monoisotopic Mass: 1058.4420101
• SMILES: N.N.N.O.O.O.O[Al](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[Al](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.N.N.N.O.O.O
• InChI: InChI=1S/Al.6Mo.3H3N.6H2O.18O/h;;;;;;;3*1H3;6*1H2;;;;;;;;;;;;;;;;;;/q+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
• InChIKey: BCVDASXURFJMPB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: alumanetriol hexakis(trioxomolybdenum) triamine trihydrate
• IUPAC Traditional name: aluminium hydroxide hexakis(molybdenum trioxide) triamine trihydrate
• Synonyms: AMMONIUM-6-MOLYBDOALUMINATE

Database IDs

• PubChem SID: 162106671
• PubChem CID: 25113229

CALCULATED PROPERTIES

• Acid pKa: 17.997124
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3586
• LogD (pH = 7.4): -1.3586
• Log P: -1.3586
• Molar Refractivity: 7.693799 cm^3
• Polarizability: 5.3962245 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223819

MP Biomedicals Rare Chemical collection