Convert to Enhanced Stereo

This action enables the user to convert the molecule to enhanced stereo representation. It will add enhanced stereo flag to set (R,S) stereogenic centers without any set enhanced stereo flag. The type of enhanced stereo flag to be added can be "abs", "and", or "or". Read more about enhanced stereo representation .

  • Force Absolute Stereo, ignore MDL chiral flag state: (converttoenhancedstereo:abs)

    • "true": the molecule is considered to be absolute stereo regardless of the chiral flag setting in the molecule; all marked stereocenters will receive "abs" enhanced stereo flag.

    • "false": all marked stereocenters will receive "abs" enhanced stereo flag if a chiral flag is set; otherwise, the following options will specify the type of enhanced stereo flag of marked stereocenters:

      • Stereogenic centers without enhanced stereo flag go into a new OR group when chiral flag is missing (converttoenhancedstereo:or);

      • Stereogenic centers without enhanced stereo flag go into a new AND group when chiral flag is missing (converttoenhancedstereo:and);

Example:

Action

Input

Output

Convert to Enhanced Stereo
(converttoenhancedstereo:abs)

images/download/attachments/1803683/clean3d2_in.png
input 1

images/download/attachments/1803683/convertenhancedstereo1_out.png
output 1

Convert to Enhanced Stereo
(converttoenhancedstereo:or)

images/download/attachments/1803683/convertenhancedstereo2_in.png
input 2

images/download/attachments/1803683/convertenhancedstereo2_out.png
output 2

Convert to Enhanced Stereo
(converttoenhancedstereo:and)

images/download/attachments/1803683/convertenhancedstereo3_in.png
input 3

images/download/attachments/1803683/convertenhancedstereo3_out.png
output 3