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calculating polarity of a compound

Discussions about HPLC, CE, TLC, SFC, and other "liquid phase" separation techniques.

4 posts Page 1 of 1
How to calculate polarity of a compound from the structure?

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
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Dancho Dikov

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?
-- Tom Jupille
LC Resources / Separation Science Associates
tjupille@lcresources.com
+ 1 (925) 297-5374

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.
4 posts Page 1 of 1

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