Absolute Stereochemistry

User 5835be63d2

11-10-2011 23:47:52

Dear Experts,

I am sorry if I am missing an obvious solution, but I would like to know if there are functions for Instant JChem that count chiral centers based on their absolute stereochemistry.

I would a molecular descriptor that gives an integer value for the total number of S stereocenters in a molecule (or the total number of R stereocenters).

Thank you,


ChemAxon afdac7b783

12-10-2011 17:55:59


can use Chemical Terms chiralCenterCount
or chiralCenters
in IJC to get information on chiral centers of an input
molecule. These terms do not differentiate the chiral center configuration;
i.e., counting only S or R chiral centers is not supported at present. We will consider this feature for future development.

Best regards,