2,4,5-trioxa-1$l^{5}-phospha-3-borabicyclo[1.1.1]pentan-1-one

• ChemBase ID: 108444
• Molecular Formular: BO4P
• Molecular Mass: 105.782361
• Monoisotopic Mass: 105.96272551
• SMILES: O=P12OB(O1)O2
• Canonical SMILES: O=P12OB(O1)O2
• InChI: InChI=1S/BO4P/c2-6-3-1(4-6)5-6
• InChIKey: RKVCQBPDVHFKCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trioxa-1$l^{5}-phospha-3-borabicyclo[1.1.1]pentan-1-one
• IUPAC Traditional name: 2,4,5-trioxa-1$l^{5}-phospha-3-borabicyclo[1.1.1]pentan-1-one
• Synonyms: BORON PHOSPHATE

Database IDs

• CAS Number: 13308-51-5
• EC Number: 236-337-7
• PubChem SID: 162094380
• PubChem CID: 83329

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.893
• LogD (pH = 7.4): 1.893
• Log P: 1.893
• Molar Refractivity: 11.0087 cm^3
• Polarizability: 7.008967 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207381

MP Biomedicals Rare Chemical collection