(1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate

• ChemBase ID: 91694
• Molecular Formular: C20H26O8
• Molecular Mass: 394.41564
• Monoisotopic Mass: 394.16276779
• SMILES: CC(=O)OC[C@@H](OC(=O)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1
• Canonical SMILES: CC(=O)O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]1OCc1ccccc1)OC(O2)(C)C)COC(=O)C
• InChI: InChI=1S/C20H26O8/c1-12(21)23-11-15(25-13(2)22)16-17(24-10-14-8-6-5-7-9-14)18-19(26-16)28-20(3,4)27-18/h5-9,15-19H,10-11H2,1-4H3/t15-,16-,17+,18-,19-/m1/s1
• InChIKey: CIMPUIMAKYLKBF-UJWQCDCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate
• IUPAC Traditional name: (1R)-1-[(3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(acetyloxy)ethyl acetate
• Synonyms: 3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-alpha-D-glucofuranose

Database IDs

• MDL Number: MFCD00269928
• PubChem SID: 162078393
• PubChem CID: 11463537

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.0197358
• LogD (pH = 7.4): 2.0197358
• Log P: 2.0197358
• Molar Refractivity: 95.7972 cm^3
• Polarizability: 39.060364 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true