(2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxan-3-yl acetate

• ChemBase ID: 85299
• Molecular Formular: C29H38O9Si
• Molecular Mass: 558.69212
• Monoisotopic Mass: 558.22850933
• SMILES: O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1OC)OC(=O)C)OC(=O)C)OC(=O)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CO[C@@H]1O[C@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C29H38O9Si/c1-19(30)35-25-24(38-28(33-7)27(37-21(3)32)26(25)36-20(2)31)18-34-39(29(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,24-28H,18H2,1-7H3/t24-,25-,26-,27+,28-/m1/s1
• InChIKey: YEJYGCSQLCXHSL-VNFNVIIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxan-3-yl acetate
• IUPAC Traditional name: (2R,3R,4R,5S,6R)-4,5-bis(acetyloxy)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxan-3-yl acetate
• Synonyms: 3,5-bis(acetyloxy)-2-({[tert-butyl(diphenyl)silyl]oxy}methyl)-6-methoxytetrahydro-2H-pyran-4-yl acetate

Database IDs

• MDL Number: MFCD01570942
• PubChem SID: 162072415
• PubChem CID: 71299512

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.621
• LogD (pH = 7.4): 4.621
• Log P: 4.621
• Molar Refractivity: 137.3656 cm^3
• Polarizability: 57.85854 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false