title: Solid and solution state conformation of 1L-1-O-acetyl-2,3:5,6-di-O-isopropylidene-chiro-inositol.
abstract: The X-ray crystal structure of 1L-1-O-acetyl-2,3:5,6-di-O-isopropylidene-chiro-inositol is described. The inositol ring deviates considerably from the ideal chair conformation to a flattened chair. A comparison of its conformation in solution with that in solid was made by the use of 1H NMR. This conformational analysis revealed that the title compound adopts similar conformations in solid state and in solution states irrespective of solvent polarity.
authors.affiliation: Department of Applied Chemistry, Faculty of Engineering, Ehime University, Matsuyama, Japan. sureshankm@yahoo.co.in
authors.forename: Kana M
authors.initials: KM
authors.lastname: Sureshan
authors.forename: Tomomi
authors.initials: T
authors.lastname: Miyasou
authors.forename: Yutaka
authors.initials: Y
authors.lastname: Watanabe
mesh_terms: D000475:Alkenes / Q000737:chemistry*; D002236:Carbohydrate Conformation; D018360:Crystallography, X-Ray; D006859:Hydrogen; D007294:Inositol / Q000031:analogs & derivatives* / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D011522:Protons; D012997:Solvents; D014961:X-Ray Diffraction
chemical_list: C496677:1-O-acetyl-2,3-5,6-di-O-isopropylideneinositol; D000475:Alkenes; D011522:Protons; D012997:Solvents; D007294:Inositol; D006859:Hydrogen; C013658:propylene