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Stereochemistry at Tetrahedral Carbon Atoms

1 Determination of the Permutation Descriptor after Rotation of the Molecule [Pg.86]

In the example, we proceed from the right (rotated molecule) to the left (reference molecule). The first transposition is done with ligands 4 and 2, in order to obtain the fir.st part of the reference. scqttencc 1 2 . Then, only a pcrmtttation of ligands 3 and 4 has to be done to obtain the reference matrix on the left-hand side. Thus, in total, we have executed two transpositions (4 2) and (3 4), [Pg.86]

The two structures in our example are identical and are rotated by only 1 20 h Clearly, rotation of a molecule docs not change its stereochemistry, Thus, the permutation descriptor of both representations should be (+ I). On this basis, we can define an equation where the number of transpositions is correlated with the permutation descriptors in an exponential term (Eq. (9)). [Pg.86]

Once again, in the case of rotation we have had two transpositions, resulting in a permutation descriptor of (-h 1), a result as desired (-1) + L) = (-h 1). [Pg.86]

Two steroids with the same constitution should be checked to see if they are stereoisomers (Eq. (10). [Pg.87]


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