Dear all,
Le 11/03/2016 05:11, Greg Landrum a écrit :
Dear all,
Here's a question for the chemists in the group: do we need to be
concerned about representing the stereochemistry of the P=C bond in
substructures like O=P(/O)=C/C under normal circumstances?
It has a meaning to write that the configuration of the P=C bond is Z or E.
All the best,
Jean-Marc
Here's a pubchem compound example that has the double bond crossed
(possibly leading one to believe that it could have stereochemistry):
https://pubchem.ncbi.nlm.nih.gov/compound/56981965
Here's the corresponding substance record (which is how PubChem
received the structure):
https://pubchem.ncbi.nlm.nih.gov/substance/135741697
Another example, this time without the crossed bond in the compound
record:
https://pubchem.ncbi.nlm.nih.gov/compound/87396055
Best,
-greg
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Jean-Marc Nuzillard
Institut de Chimie Moléculaire de Reims
CNRS UMR 7312
Moulin de la Housse
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France
Tel : 03 26 91 82 10
Fax : 03 26 91 31 66
http://www.univ-reims.fr/ICMR
http://www.univ-reims.fr/LSD/
http://www.univ-reims.fr/LSD/JmnSoft/
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