THE POTENTIAL-ENERGY SURFACE OF METHYL O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE IN AQUEOUS-SOLUTION - CONCLUSIONS DERIVED FROM OPTICAL-ROTATION
Es. Stevens, THE POTENTIAL-ENERGY SURFACE OF METHYL O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE IN AQUEOUS-SOLUTION - CONCLUSIONS DERIVED FROM OPTICAL-ROTATION, Biopolymers, 34(10), 1994, pp. 1395-1401
The optical rotation of methyl 0-(alpha-D-mannopyranosyl)-alpha-D-mann
opyranoside is calculated semiempirically as a function of the linkage
dihedral angles phi (H1-C1-O1-C3') and psi (C1-O1-C3'-H3'). Compariso
n with the observed optical rotation in aqueous solution indicates the
existence of at least two conformers in solution, which implies a deg
ree of linkage flexibility. The result is in agreement with some, but
not all, calculated potential energy surfaces, and with recently publi
shed nmr data. (C) 1994 John Wiley and Sons, Inc.