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Stereochemistry

You can use Stereochemisty on the QueryDef menu to specify stereochemical attributes of a structure.

Stereochemical searches can be Relative or Absolute. Relative is the default, it allows retrieval of both possible enantiomers. An Absolute search only retrieves the enantiomer drawn in the query.

To search for structures with double bond geometry, select the double bonds and then choose the Stereo option under Geometric Bonds.

Stereo Set options are used to define different stereo groups within a single structure. Select the desired nodes and then choose the appropriate options under Stereo Set.

Node Attribute options are used to alter stereo structures, e.g., flatten, invert.

Note: If an invalid pattern of stereo bonds has been drawn, an error message is displayed in the Stereochemistry dialog. Use Query Verification for more information on drawing stereo centers.

Stereo Display Label

A stereo label for display only can be added to any node that has one or more stereo bonds. Select the node and then the stereo command that will be enabled. Click on Specific, followed by the label that you want to use. Stereo labels can be deleted using the Eraser Tool, or moved using the Lasso Tool

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