nickeldiol hexakis(trioxomolybdenum) tetraamine tetrahydrate

• ChemBase ID: 112806
• Molecular Formular: H22Mo6N4NiO24
• Molecular Mass: 1096.64048
• Monoisotopic Mass: 1107.4301885
• SMILES: N.N.N.N.O.O.O.O.O[Ni]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=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O[Ni]O.N.N.N.N.O.O.O.O
• InChI: InChI=1S/6Mo.4H3N.Ni.6H2O.18O/h;;;;;;4*1H3;;6*1H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;+2;;;;;;;;;;;;;;;;;;;;;;;;/p-2
• InChIKey: PDSMKLQHKYRTTI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickeldiol hexakis(trioxomolybdenum) tetraamine tetrahydrate
• IUPAC Traditional name: hexakis(molybdenum trioxide) nickeldiol tetraamine tetrahydrate
• Synonyms: AMMONIUM-6-MOLYBDONICKELATE (II)

Database IDs

• PubChem SID: 162106785
• PubChem CID: 44135766

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0542
• LogD (pH = 7.4): -1.0542
• Log P: -1.0542
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 6.8503585 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225933

MP Biomedicals Rare Chemical collection