(2R,5R)-1-{2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethyl-1λ5-phospholan-1-one

• ChemBase ID: 301461
• Molecular Formular: C22H36OP2
• Molecular Mass: 378.468162
• Monoisotopic Mass: 378.22413903
• SMILES: CC[C@@H]1CC[C@H](P1c1ccccc1P1(=O)[C@@H](CC[C@H]1CC)CC)CC
• Canonical SMILES: CC[C@@H]1CC[C@H](P1c1ccccc1P1(=O)[C@H](CC)CC[C@H]1CC)CC
• InChI: InChI=1S/C22H36OP2/c1-5-17-13-14-18(6-2)24(17)21-11-9-10-12-22(21)25(23)19(7-3)15-16-20(25)8-4/h9-12,17-20H,5-8,13-16H2,1-4H3/t17-,18-,19-,20-/m1/s1
• InChIKey: PFNSFIIPVBDTTF-UAFMIMERSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5R)-1-{2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethyl-1λ^5-phospholan-1-one
• IUPAC Traditional name: (2R,5R)-1-{2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethyl-1λ^5-phospholan-1-one
• Synonyms: (2R,5R)-1-(2-[(2R,5R)-2,5-Diethyl-1-phospholanyl]phenyl)-2,5-diethylphospholane 1-oxide

Database IDs

• CAS Number: 924294-55-3
• MDL Number: MFCD17018780

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5358453
• LogD (pH = 7.4): 5.5515885
• Log P: 5.5518
• Molar Refractivity: 110.3307 cm^3
• Polarizability: 44.327293 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: 97+%