In our continuing efforts to better understand conformational preferences of flexible furanoside rings, we have compared coupling constants based on updated Karplus relationships with Boltzmann distribution from energy scan calculations at the B3LYP/6-311(d,p) level of theory with three-bond coupling constants that have been revealed at higher resolution (&gt;0.1 Hz) using the proton NMR 2D <i>J-</i>resolved coupling experiment.

Comparison of furanoside conformational preferences between calculation and better resolved NMR measurement

255th National Meeting (2018)

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