Monday, 6 December 2010

Name that stereochemistry

Here's an image from PubChem. I count two chiral centers, but for how many of these is the chirality specified?


Egon Willighagen said...

Which wedge bond formalism are you using here again?

baoilleach said...

That's exactly the issue. The image is a faithful reproduction of the underlying MOL file, but 2D mol files are not very useful without knowing the wedge bond convention adopted. I'll expand in a further blog post.

Orion said...

This representation would probably cost a point or two on an undergraduate exam. I don't think any formalism, however internally correct, would make it palatable to a practicing chemist.