Wolfram Language

Enumerating Stereoisomers

Molecule can determine the chirality at each stereocenter of a molecule. MoleculeModify simplifies the generation of other stereoisomers.

D-glucose has four chiral centers, and so there are stereoisomers.

Use the "AtomChirality" property to get the configuration at all the stereocenters.

Use MoleculeModify to set the chirality at each center.

Make a table of the 16 different configurations, enumerating the possibilities using Tuples.

Plot all the glucose stereoisomers.

Related Examples

ja