calcium dioxophosphinate

• ChemBase ID: 108291
• Molecular Formular: CaO6P2
• Molecular Mass: 198.021922
• Monoisotopic Mass: 197.87960196
• SMILES: [Ca+2].[O-]P(=O)=O.[O-]P(=O)=O
• Canonical SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[Ca+2]
• InChI: InChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
• InChIKey: ROPDWRCJTIRLTR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dioxophosphinate
• IUPAC Traditional name: calcium(2+) diO3P
• Synonyms: CALCIUM METAPHOSPHATE

Database IDs

• CAS Number: 53801-86-8
• PubChem SID: 162095134
• PubChem CID: 16129693

CALCULATED PROPERTIES

• Acid pKa: 11.918209
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.90820014
• LogD (pH = 7.4): -0.9082131
• Log P: -0.9082
• Molar Refractivity: 11.1647 cm^3
• Polarizability: 4.634388 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206835

MP Biomedicals Rare Chemical collection