Bug : Inchikey and enantiomers

User 613c6cda4d

15-01-2015 16:50:57

Hello,

I encounter the following problem with Inchikey in Marvin sketch v6.0.6: I draw two enantiomers of a structure:



Windows XP system with Mozilla v35 and Java 7.71


R :InChIKey=OEHVJRWWLIUZLT-ZDUSSCGKSA-N
S : InChIKey=OEHVJRWWLIUZLT-CYBMUJFWSA-N


Windows 7 with Mozilla v35 and Java 8.25


R and S: InChIKey=OEHVJRWWLIUZLT-UHFFFAOYNA-N


I do not have the distinction of the two enantiomers in Windows 7 (Java 8) and coding the inchikey is different than windows XP (Java 7)!


Best Regards.

ChemAxon f052bdfe3c

16-01-2015 09:36:51

It is an interesting bug. Thank you for reporting it, we investigate.


Best regards,


Efi