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

• ChemBase ID: 301266
• Molecular Formular: C22H28O4Si
• Molecular Mass: 384.54082
• Monoisotopic Mass: 384.17568591
• SMILES: C(C)(C)(C)[Si](OC[C@@H]1[C@H]([C@@H](C=CO1)O)O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O[C@@H]1[C@@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)OC=C[C@H]1O
• InChI: InChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-21(24)19(23)14-15-25-20/h4-15,19-21,23-24H,16H2,1-3H3/t19-,20-,21+/m1/s1
• InChIKey: HIVBZUOTQALJIU-NJYVYQBISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 87316-22-1
• MDL Number: MFCD01321278

CALCULATED PROPERTIES

• Acid pKa: 12.972898
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.2176
• LogD (pH = 7.4): 4.217599
• Log P: 4.2176
• Molar Refractivity: 103.0156 cm^3
• Polarizability: 42.91895 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -9°C
• Optical Rotation: +9 (c=1.1 in chloroform)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%