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ACD/Tautomers
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Don't overlook common tautomeric forms of your chemical structure!
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ACD/Tautomers is provided as a value-added feature in every commercial and freeware copy of ACD/ChemSketch. This algorithm will check and generate the most common/reasonable tautomeric forms of drawn organic structures. It is accessible through the menu command or via the Tautomers button  .
Choose this command to start the process of checking and generating alternate tautomeric forms of the drawn structure. On completion, the Check Tautomeric Forms dialog box is displayed with the suggested predominant tautomeric form. If the drawn structure itself is the major tautomeric form, a corresponding message instantly appears on the screen.
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Notes:
- The possibility of alternative tautomeric forms should always be carefully considered, especially if the drawn organic structure contains two or more double or triple bonds conjugated with or attached to oxygen, nitrogen, sulfur, or other heteroatoms. The current ACD/Tautomers algorithm provides suggested tautomeric forms, not necessarily the correct/most dominant forms. Consult other sources of information to make a final decision.
- The ACD/Tautomers algorithm does not operate on the following classes of chemical structures:
- Structures containing metal atoms.
- Structures containing charged atoms, other than the derivatives of nitrogen (+) bonded to oxygen (-).
- Structures containing elements in their non-typical valence.
- Structures with coordinating bonds.
- Structures containing more than 255 atoms.
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This page was last updated
01 December 2008
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