(2R,3R)-3-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-4-oxoazetidin-2-yl acetate

• ChemBase ID: 287476
• Molecular Formular: C13H25NO4Si
• Molecular Mass: 287.4274
• Monoisotopic Mass: 287.15528482
• SMILES: CC(=O)O[C@@H]1[C@@H](CCO[Si](C)(C(C)(C)C)C)C(=O)N1
• Canonical SMILES: CC(=O)O[C@H]1NC(=O)[C@@H]1CCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H25NO4Si/c1-9(15)18-12-10(11(16)14-12)7-8-17-19(5,6)13(2,3)4/h10,12H,7-8H2,1-6H3,(H,14,16)/t10-,12+/m0/s1
• InChIKey: JSWAHRJBQMEUQL-CMPLNLGQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R)-3-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-4-oxoazetidin-2-yl acetate
• IUPAC Traditional name: (2R,3R)-3-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-4-oxoazetidin-2-yl acetate
• Synonyms: (2R,3R)-3-(2-((Tert-butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl acetate

Database IDs

• CAS Number: 76855-69-1
• MDL Number: MFCD00135115
• PubChem SID: 180673007
• PubChem CID: 18632856

CALCULATED PROPERTIES

• Acid pKa: 10.7028885
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5034975
• LogD (pH = 7.4): 1.5032995
• Log P: 1.5035
• Molar Refractivity: 68.6366 cm^3
• Polarizability: 29.597801 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%