dicalcium {[dioxido(oxo)vanadio]oxy}(oxo)vanadiumbis(olate)

• ChemBase ID: 111679
• Molecular Formular: Ca2O7V2
• Molecular Mass: 294.0348
• Monoisotopic Mass: 293.7775033
• SMILES: [Ca+2].[Ca+2].[O-][V](=O)([O-])O[V](=O)([O-])[O-]
• Canonical SMILES: [O-][V](=O)(O[V](=O)([O-])[O-])[O-].[Ca+2].[Ca+2]
• InChI: InChI=1S/2Ca.7O.2V/q2*+2;;;;4*-1
• InChIKey: BOYSUEYALHCWKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicalcium {[dioxido(oxo)vanadio]oxy}(oxo)vanadiumbis(olate)
• IUPAC Traditional name: dicalcium(2+) {[dioxido(oxo)vanadio]oxy}(oxo)vanadiumbis(olate)
• Synonyms: CALCIUM VANADATE, (PYRO)

Database IDs

• CAS Number: 14100-64-2
• PubChem SID: 162096861
• PubChem CID: 25147457

CALCULATED PROPERTIES

• Acid pKa: 11.698027
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.5764003
• LogD (pH = 7.4): -2.5764217
• Log P: -2.5764
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 11.568945 Å^3
• Polar Surface Area: 135.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220345

MP Biomedicals Rare Chemical collection