EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN TETRAHYDROPYRAN DERIVATIVES

The sign and the magnitude of the molecular optical rotation of a seri es of tetrahydropyran derivatives have been related with their structu re, conformation and absolute configuration. This relationship is carr ied out using, for each conformer, the dihedral angles and the energy of its corresponding geometry optimized through Molecular Mechanics ca lculations. A good approximation has been obtained between the calcula ted values and the corresponding experimental values. (C) 1998 Elsevie r Science B.V.