triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-cobalta-1,3,7,9-tetramolybdanonane-1,9-bis(olate)

• ChemBase ID: 112805
• Molecular Formular: CoH12Mo6N3O21
• Molecular Mass: 1024.79598
• Monoisotopic Mass: 1036.36197242
• SMILES: [NH4+].[NH4+].[NH4+].[O-][Mo](=O)(=O)O[Mo](=O)(=O)O[Co](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-]
• Canonical SMILES: O=[Mo](=O)(O[Mo](=O)(=O)[O-])O[Co](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
• InChI: InChI=1S/Co.6Mo.3H3N.21O/h;;;;;;;3*1H3;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*-1/p+3
• InChIKey: LKYPFQVXVCPLRV-UHFFFAOYSA-Q

NAMES AND DATABASE IDS

Names

• IUPAC name: triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-cobalta-1,3,7,9-tetramolybdanonane-1,9-bis(olate)
• IUPAC Traditional name: triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-cobalta-1,3,7,9-tetramolybdanonane-1,9-bis(olate)
• Synonyms: AMMONIUM-6-MOLYBDOCOBALTATE (III)

Database IDs

• PubChem SID: 162106784
• PubChem CID: 44135765

CALCULATED PROPERTIES

• H Acceptors: 15
• H Donor: 0
• LogD (pH = 5.5): -4.9482
• LogD (pH = 7.4): -4.948236
• Log P: -4.9482
• Molar Refractivity: 29.7447 cm^3
• Polarizability: 47.48803 Å^3
• Polar Surface Area: 329.4 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false
• Acid pKa: 11.479027

DETAILS

MP Biomedicals - 05225931

MP Biomedicals Rare Chemical collection