L-tartrate

Hello,

When I draw L-tartrate (2R,3R) and then I do a "Clean 2D" in the 5.3.8 Marvin Sketch version, stereochemistry is automatically converted to the meso form (2R,3S) of tartrate.
Is this bug fixed in the new version ?
Thanks,

Vincent

Hi Vincent,

In the current version the clean works fine, and I cannot reproduce it even in 5.3.8 to be honest. I tried here:

http://www.chemaxon.com/marvin-archive/5.3.8/marvin/examples/applets/sketch.html

by importing L-tartrate in Edit > Import name, then Structure > Clean 2D, and it remains R,R.

Best regards,

Akos

Hello Akos,

Thank you for your help.
However, the problem is still remaining.
Please find as attach file the way I drew L-tartrate (.mol file) and try to do a Clean 2D on it. Stereochemistry automatically changes.
It is may be due to the difference between condensed structure (CO2H) and structural formulas (H-O-C=O) ?

Best Regards,
Vincent

Hi Vincent,

I could reproduce it with your molecule in version 5.3.8, and up to 5.4.1, where this issue seems to be fixed. You can try it here:

http://www.chemaxon.com/marvin-archive/5.4.1/marvin/examples/applets/sketch.html

Please consider upgrading to a newer version of Marvin.

Thank you and best regards,

Akos

Hello Akos,

Thank you for your help.
We will upgarde soon.

Best regards,
Vincent