dihydroxy(oxo)molybdenumhexakis(ylium)

• ChemBase ID: 4067
• Molecular Formular: H2MoO3++++++
• Molecular Mass: 145.97408
• Monoisotopic Mass: 147.90580192
• SMILES: O[Mo+6](=O)O
• Canonical SMILES: O[Mo+6](=O)O
• InChI: InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2
• InChIKey: GKDPEXRCAVYDOG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dihydroxy(oxo)molybdenumhexakis(ylium)
• IUPAC Traditional name: mo(vi)(=O)(oh)2 cluster
• Synonyms: OMO; Mo(Vi)(=O)(Oh)2 Cluster

Database IDs

• PubChem SID: 160967501; 46507185
• PubChem CID: 0

CALCULATED PROPERTIES

• Acid pKa: 10.318285
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4238065
• LogD (pH = 7.4): -1.424321
• Log P: -1.4238
• Molar Refractivity: 6.5721 cm^3
• Polarizability: 7.2837343 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB04494

Drug information: experimental