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

• ChemBase ID: 301143
• Molecular Formular: C26H32O6Si
• Molecular Mass: 468.61418
• Monoisotopic Mass: 468.19681528
• SMILES: C(=O)(C)O[C@@H]1C=CO[C@@H]([C@H]1OC(=O)C)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)O[C@@H]1[C@@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)OC=C[C@H]1OC(=O)C
• InChI: InChI=1S/C26H32O6Si/c1-19(27)31-23-16-17-29-24(25(23)32-20(2)28)18-30-33(26(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,23-25H,18H2,1-5H3/t23-,24-,25+/m1/s1
• InChIKey: HGWFRQHLOUXHGQ-SDHSZQHLSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 151797-32-9
• MDL Number: MFCD01321279

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.0758
• LogD (pH = 7.4): 5.0758
• Log P: 5.0758
• Molar Refractivity: 121.3186 cm^3
• Polarizability: 50.581997 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >113°C(235°F)
• Refractive Index: 1.4560
• Optical Rotation: +9 (c=1.1 in chloroform)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%