Structure of 4-methylumbelliferyl-beta-D-glucopyranoside.
C16H17O8.1.5H2O, Mr = 364.33, monoclinic, C2, a = 14.314 (3), b = 6.851 (1), c = 18.178 (5) A, beta = 100.90 (2) degrees, V = 1750.46 A3, Z = 4, D chi = 1.382 Mg m-3, lambda(Mo K alpha) = 0.71069 A, mu = 0.933 mm(-1), F(000) = 768, T = 294 K, R = 0.078 for all 2160 reflections. The structure is characterized by the close stacking along the b axis of the planar 4-methylumbelliferyl ring system which is nearly perpendicular to b and the extensive hydrogen bonding scheme in which all hydroxyl groups are within 2.95 A of at least two other O atoms.
Van Roey
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Medical Foundation of Buffalo, Inc., NY 14203.
Salerno
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D003198:Computer Simulation; D005960:Glucosides; D006027:Glycosides; D006860:Hydrogen Bonding; D006923:Hymecromone / Q000031:analogs & derivatives; D008958:Models, Molecular; D008968:Molecular Conformation; D014468:Umbelliferones
D005960:Glucosides; D006027:Glycosides; D014468:Umbelliferones; C014110:4-methylumbelliferyl glucoside; D006923:Hymecromone