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

• ChemBase ID: 301784
• Molecular Formular: C20H40O5Si2
• Molecular Mass: 416.6996
• Monoisotopic Mass: 416.24142744
• SMILES: CC(=O)O[C@@H]1[C@H](OC=C[C@H]1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC(=O)O[C@@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C20H40O5Si2/c1-15(21)24-18-16(25-27(10,11)20(5,6)7)12-13-22-17(18)14-23-26(8,9)19(2,3)4/h12-13,16-18H,14H2,1-11H3/t16-,17-,18+/m1/s1
• InChIKey: YJGRGQBNRGUEAY-KURKYZTESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 132891-79-3
• MDL Number: MFCD01321282

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.358
• LogD (pH = 7.4): 4.358
• Log P: 4.358
• Molar Refractivity: 102.6268 cm^3
• Polarizability: 45.31789 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 324°C
• Flash Point: >113°C(235°F)
• Density: 0.968
• Refractive Index: 1.4560
• Optical Rotation: -19 (c=2.1 in chloroform)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%