tricyclo[3.3.1.13,7]tetraphosphoxane

• ChemBase ID: 128965
• Molecular Formular: O6P4
• Molecular Mass: 219.891444
• Monoisotopic Mass: 219.86453424
• SMILES: O1P2OP3OP(OP1O3)O2
• Canonical SMILES: O1P2OP3OP1OP(O2)O3
• InChI: InChI=1S/O6P4/c1-7-2-9-4-8(1)5-10(3-7)6-9
• InChIKey: VSAISIQCTGDGPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[3.3.1.1^3,^7]tetraphosphoxane
• IUPAC Traditional name: phosphorus oxide
• Synonyms: Phosphorus(III) oxide; Phosphorus sesquioxide; Phosphorous oxide; Phosphorous anhydride; Phosphorus trioxide

Database IDs

• CAS Number: 1314-24-5
• PubChem SID: 162223267
• PubChem CID: 123290
• CHEBI ID: 37372
• Chemspider ID: 109897
• Wikipedia Title: Phosphorus_trioxide

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.9504
• LogD (pH = 7.4): 2.9504
• Log P: 2.9504
• Molar Refractivity: 35.4452 cm^3
• Polarizability: 14.432134 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reacts in water
• Apperance: colourless monoclinic crystals or liquid
• Melting Point: 23.8 °C
• Boiling Point: 173.1 °C
• Density: 2.135 g/cm^3
• pKa: 9.4