{[(2R,3R,4R)-3-(benzyloxy)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-4-yl]oxy}(tert-butyl)dimethylsilane

• ChemBase ID: 301324
• Molecular Formular: C25H44O4Si2
• Molecular Mass: 464.78546
• Monoisotopic Mass: 464.27781295
• SMILES: C(c1ccccc1)O[C@H]1[C@@H](C=CO[C@@H]1CO[Si](C(C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(O[C@@H]1C=CO[C@@H]([C@H]1OCc1ccccc1)CO[Si](C(C)(C)C)(C)C)C
• InChI: InChI=1S/C25H44O4Si2/c1-24(2,3)30(7,8)28-19-22-23(27-18-20-14-12-11-13-15-20)21(16-17-26-22)29-31(9,10)25(4,5)6/h11-17,21-23H,18-19H2,1-10H3/t21-,22-,23+/m1/s1
• InChIKey: CZGTZYNJABAJPH-ZLNRFVROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(2R,3R,4R)-3-(benzyloxy)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-4-yl]oxy}(tert-butyl)dimethylsilane
• IUPAC Traditional name: {[(2R,3R,4R)-3-(benzyloxy)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-4-yl]oxy}(tert-butyl)dimethylsilane
• Synonyms: 4-O-Benzyl-3,6-di-O-tert-butyldimethylsilyl-D-glucal

Database IDs

• CAS Number: 111830-58-1
• MDL Number: MFCD22989001

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.2838
• LogD (pH = 7.4): 6.2838
• Log P: 6.2838
• Molar Refractivity: 122.8391 cm^3
• Polarizability: 52.977684 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%