Page 1 of 1

calculating polarity of a compound

Posted: Sun Oct 18, 2009 6:42 am
by vishall79
How to calculate polarity of a compound from the structure?

Posted: Sun Oct 18, 2009 10:31 am
by danko
The universally accepted approach is: Do some of the work yourself (search and read relevant material). If one – following the initial phase – needs some help or ideas or whatever, then ask people on this or another forum, or maybe some colleagues, or friends etc.
If I remember correctly, the topic was up on this very forum, a few days ago.
Just asking the shortest possible question won’t bring you far.

Best Regards

Posted: Sun Oct 18, 2009 6:55 pm
by tom jupille
To elaborate on danko's response: some idea of your context would be helpful: what aspect of "polarity" are you interested in and what are you going to do with the information?

Posted: Thu Oct 22, 2009 4:53 pm
by Chromatographer2010
There are some modeling tools available on the web for calculating polar surface area which has been shown in some cases to correlate to retention on reversed phase columns.

http://www.daylight.com/meetings/emug00/Ertl/index.html

Is one example.