Empirical relationship between structure and molecular optical rotation in tetrahydropyran derivatives

The sign and the magnitude of the molecular optical rotation of a series of tetrahydropyran derivatives have been related with their structure, conformation and absolute configuration. This relationship is carried out using, for each conformer, the dihedral angles and the energy of its corresponding geometry optimized through Molecular Mechanics calculations. A good approximation has been obtained between the calculated values and the corresponding experimental values. (C) 1998 Elsevier Science B.V.