(2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl acetate

• ChemBase ID: 294982
• Molecular Formular: C40H48O5Si2
• Molecular Mass: 664.97712
• Monoisotopic Mass: 664.3040277
• SMILES: CC(=O)O[C@@H]1[C@H](OC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC(=O)O[C@@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C40H48O5Si2/c1-31(41)44-38-36(45-47(40(5,6)7,34-24-16-10-17-25-34)35-26-18-11-19-27-35)28-29-42-37(38)30-43-46(39(2,3)4,32-20-12-8-13-21-32)33-22-14-9-15-23-33/h8-29,36-38H,30H2,1-7H3/t36-,37-,38+/m1/s1
• InChIKey: ZMHSQCDYRJMLIO-IZNNDHRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl acetate
• IUPAC Traditional name: (2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl acetate
• Synonyms: 4-O-Acetyl-3,6-di-O-tert-butyldiphenylsilyl-D-glucal

Database IDs

• CAS Number: 308103-44-8
• MDL Number: MFCD01321281
• PubChem SID: 180680513
• PubChem CID: 16213142

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 10.6624
• LogD (pH = 7.4): 10.6624
• Log P: 10.6624
• Molar Refractivity: 181.4036 cm^3
• Polarizability: 76.33056 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Optical Rotation: +7 (c=1.5 in chloroform)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%