Solid-state 17O NMR analysis of synthetically 17O-enriched D-glucosamine

The hydroxyl groups of carbohydrates are critical determinants of their conformational dynamics and intermolecular interactions but are difficult to characterize by conventional H-1 nuclear magnetic resonance (NMR) approaches in solution. Here, we report a solid-state O-17 NMR analysis of synthetic glucosamine with O-17 enrichment at position 6. Based on magic-angle spinning and stationary spectral data obtained at varying magnetic fields in conjunction with quantum chemical calculations, we successfully estimated O-17 chemical shift and electric field gradient tensors, providing benchmark for O-17 NMR analyses of oligosaccharide structures.