(4S)-4-[(3aR,5S,6S,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 91772
• Molecular Formular: C19H26O6
• Molecular Mass: 350.40614
• Monoisotopic Mass: 350.17293855
• SMILES: O1CC([C@@H]2O[C@H]3[C@H]([C@H]2OCc2ccccc2)OC(O3)(C)C)OC1(C)C
• Canonical SMILES: CC1(C)O[C@@H]2[C@@H](O1)O[C@H]([C@@H]2OCc1ccccc1)C1COC(O1)(C)C
• InChI: InChI=1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3/t13?,14-,15-,16-,17+/m0/s1
• InChIKey: ZHFVGOMEUGAIJX-DJVREKRWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-[(3aR,5S,6S,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: (4S)-4-[(3aR,5S,6S,6aS)-6-(benzyloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• Synonyms: 3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose

Database IDs

• MDL Number: MFCD00269929
• PubChem SID: 162078471
• PubChem CID: 71299572

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.8399096
• LogD (pH = 7.4): 2.8399096
• Log P: 2.8399096
• Molar Refractivity: 89.7012 cm^3
• Polarizability: 36.274258 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant