tetraammonium dioxo(phosphonato)molybdenumbis(olate)

• ChemBase ID: 107532
• Molecular Formular: H16MoN4O7P
• Molecular Mass: 311.083401
• Monoisotopic Mass: 312.9810685
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[Mo](=O)(=O)([O-])[O-]
• Canonical SMILES: [O-][Mo](=O)(=O)(P(=O)([O-])[O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
• InChI: InChI=1S/Mo.4H3N.HO3P.4O/c;;;;;1-4(2)3;;;;/h;4*1H3;(H,1,2,3);;;;/q-1;;;;;;;;2*-1/p+3
• InChIKey: CVZLXUFWWIETKY-UHFFFAOYSA-Q

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraammonium dioxo(phosphonato)molybdenumbis(olate)
• IUPAC Traditional name: tetraammonium dioxo(phosphonato)molybdenumbis(olate)
• Synonyms: AMMONIUM PHOSPHOMOLYBDATE

Database IDs

• CAS Number: 12026-66-3
• EC Number: 234-714-0
• PubChem SID: 162095136
• PubChem CID: 21863161

CALCULATED PROPERTIES

• Acid pKa: 1.5387293
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -5.654707
• LogD (pH = 7.4): -7.1085973
• Log P: -2.8682
• Molar Refractivity: 15.615499 cm^3
• Polarizability: 12.499972 Å^3
• Polar Surface Area: 143.45 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204087

MP Biomedicals Rare Chemical collection