Predicting the chelating effect of given compound

01 March 2016 1 6K Report

Dear All,

Here's a query, please clarify,

Given a compound, how to predict the likelihood of its chelating property? Are there any webservers/programs available to predict whether a compound will have chelating property?

Please let me know

Thanks

srinivas

Laura J McCormick McPherson

For the compound to act as a chelating ligand, it would ideally have two donor atoms positioned in such a way that when both atoms bind to a metal, a five- or six-membered ring is formed e.g. 2,2`-bipyridine binds to a metal to form a 5 membered C-N-M-N-C-C ring, while acac binds to metals to give a 6 mebered C-C-O-M-O-C-C ring.

Does this help?

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