Biomaterial Database

2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl-6,6'- dithiocyanato-alpha,alpha-trehalose. 1995

A Linden, and C K Lee

Organisch-chemisches Institut, Universität Zürich, Switzerland.

The low-temperature X-ray crystal structure of 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-alpha-D-glu copyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-alpha-D-glu copyranoside (the title compound), C44H40N2O17S4, is reported. The absolute configuration has been determined. The molecule has only approximate C2 symmetry but the differences in the orientation of the C(5) substituents and the torsion angles about the glycosidic linkage are very much less than in alpha,alpha-trehalose and its derivatives. Each of the hexopyranosyl residues has a nearly perfect 4C1 conformation. The planes of the phenyl rings of the benzoyl groups are oriented such that they are approximately perpendicular to the plane of the parent pyranose ring.

UI	MeSH Term	Description	Entries
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D008969	Molecular Sequence Data	Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.	Sequence Data, Molecular,Molecular Sequencing Data,Data, Molecular Sequence,Data, Molecular Sequencing,Sequencing Data, Molecular
D002240	Carbohydrate Sequence	The sequence of carbohydrates within POLYSACCHARIDES; GLYCOPROTEINS; and GLYCOLIPIDS.	Carbohydrate Sequences,Sequence, Carbohydrate,Sequences, Carbohydrate
D014199	Trehalose
D018360	Crystallography, X-Ray	The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies