The potential energy surface of methyl 3-O-(α-D-mannopyranosyl)-α-D-mannopyranoside in aqueous solution: Conclusions derived from optical rotation

✍ Scribed by Eugene S. Stevens

• Publisher: Wiley (John Wiley & Sons)
• Year: 1994
• Tongue: English
• Weight: 641 KB
• Volume: 34
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.360341010

✦ Synopsis

Abstract

The optical rotation of methyl 3‐O ‐(α‐D‐mannopyranosyl)‐α‐D‐mannopyranoside is calculated semiempirically as a function of the linkage dihedral angles ϕ (H1‐C1‐O1‐C3′) and ψ (C1‐O1‐C3′‐H3′). Comparison with the observed optical rotation in aqueous solution indicates the existence of at least two conformers in solution, which implies a degree of linkage flexibility. The result is in agreement with some, but not all, calculated potential energy surfaces, and with recently published nmr data. © 1994 John Wiley & Sons, Inc.