Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(2-oxopropyl)-7-O- (phenylmethyl)-L-glycero-D-manno-heptono-1,5-lactone 3-(3,5-dinitrobenzoate).
C26H28N2O10, Mr = 528.5, triclinic, P1, a = 9.524 (1), b = 11.8187 (8), c = 12.615 (1) A, alpha = 66.512 (7), beta = 83.321 (9), gamma = 88.758 (8) degrees, V = 1293.0 (4) A3, Dx = 1.357 g cm-3, Z = 2, lambda(Cu K alpha) = 1.54178 A, mu = 8.99 cm-1, F(000) = 556, T = 293 K, final R = 0.039, wR = 0.048 for 2425 reflections with I greater than 3 sigma(I). The tetra-substituted valerolactone ring has a boat conformation and the relative stereochemistries of the three pairs of adjacent substituents are cis-trans-trans.
Ammon
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Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
DeShong
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Simpson
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D007783:Lactones / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009579:Nitrobenzoates / Q000737:chemistry*; D014961:X-Ray Diffraction
D007783:Lactones; D009579:Nitrobenzoates; C074405:2,4,6-trideoxy-4,6-dimethyl-2-(2-oxopropyl)-7-O-(phenylmethyl)-glycero-manno-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)