Bug in Show all R/S labels

User 870ab5b546

08-12-2004 15:13:31

The following compound has two tetrahedral stereocenters, but only one is marked when the Show all R/S labels option is set under View:





Code:



<?xml version="1.0"?>


<MDocument>


  <MChemicalStruct>


    <molecule molID="m1">


      <atomArray


          atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11"


          elementType="C C C C C C C C C C H"


          x2="-0.1749066666666667 -1.5086400000000002 -1.5086400000000002 1.5903066507720949 1.6486399284744264 3.3209866348775234 1.3336399523162843 0.05030665077209484 2.154319888737997 -0.1749066666666667 -1.6040990422402108"


          y2="4.456666666666668 3.6866666666666674 2.146666666666667 1.9950000635782885 -0.07000000198682121 1.5671600794728606 3.6866666666666674 0.04666667262713142 -1.6256799294678368 1.376666666666667 0.21975200437215658"


          />


      <bondArray>


        <bond atomRefs2="a1 a2" order="1" />


        <bond atomRefs2="a1 a7" order="2" />


        <bond atomRefs2="a2 a3" order="2" />


        <bond atomRefs2="a3 a10" order="1" />


        <bond atomRefs2="a10 a8" order="1" />


        <bond atomRefs2="a8 a5" order="2" />


        <bond atomRefs2="a4 a7" order="1" />


        <bond atomRefs2="a4 a6" order="1">


          <bondStereo>H</bondStereo>


        </bond>


        <bond atomRefs2="a5 a9" order="1" />


        <bond atomRefs2="a10 a4" order="1" />


        <bond atomRefs2="a10 a11" order="1">


          <bondStereo>H</bondStereo>


        </bond>


      </bondArray>


    </molecule>


  </MChemicalStruct>


</MDocument>








I noticed this problem with the Diels-Alder adduct of furan and maleimide, too.

ChemAxon 25dcd765a3

08-12-2004 16:17:27

It seems to be a bug.


Thank you for the report!


We try to fix it soon.