triammonium dioxo(sulfonato)molybdenumbis(olate)

• ChemBase ID: 108109
• Molecular Formular: H12MoN3O7S
• Molecular Mass: 294.13618
• Monoisotopic Mass: 295.94500374
• SMILES: [NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[Mo](=O)(=O)([O-])[O-]
• Canonical SMILES: [O-][Mo](=O)(=O)(S(=O)(=O)[O-])[O-].[NH4+].[NH4+].[NH4+]
• InChI: InChI=1S/Mo.3H3N.O3S.4O/c;;;;1-4(2)3;;;;/h;3*1H3;;;;;/q;;;;-1;;;2*-1/p+3
• InChIKey: NMPKTCBPXIYYIS-UHFFFAOYSA-Q

NAMES AND DATABASE IDS

Names

• IUPAC name: triammonium dioxo(sulfonato)molybdenumbis(olate)
• IUPAC Traditional name: triammonium dioxo(sulfonato)molybdenumbis(olate)
• Synonyms: AMMONIUM SULFOMOLYBDATE

Database IDs

• PubChem SID: 162106109
• PubChem CID: 0

CALCULATED PROPERTIES

• Acid pKa: -2.5249853
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -4.9062996
• LogD (pH = 7.4): -4.9063272
• Log P: -2.6425
• Molar Refractivity: 15.8561 cm^3
• Polarizability: 12.958462 Å^3
• Polar Surface Area: 137.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206102

MP Biomedicals Rare Chemical collection