The structure and conformation of saccharides determined by experiment and simulation

Abstract

Doctoral dissertation 1997
Department of Organic Chemistry
Arrhenius Laboratory
Stockholm University
S-106 91 Stockholm
Sweden

Abstract

A computer program, CASPER, for sequence determination of oligosaccharides and regular polysaccharides using NMR-data, has been extended to support multiply branched structures. The program has been modified to allow the use of incomplete experimental data since spectral overlap can be a problem even at high fields. The resulting program was tested and used in the structure determination of the capsular polysaccharide from Klebsiella type K52.
Four carboxyethyl-substituted sugars, methyl 4-O-[(R)- and (S)-1-carboxyethyl]-α;-L-rhamnopyranoside and methyl 6-O-[(R)- and (S)-1-carboxyethyl]-α-D-galactopyranoside have been synthesized. The conformational properties of the latter two have been investigated by both NMR spectroscopy and molecular modelling studies. For the NMR-studies stereospecifically deuterated compounds were prepared.

© Roland Stenutz 1997
ISBN 91-7153-611-6