Hello Mark, I thought you could depict it like the attached, since only the narrow end of a wedged bond counts. Sure, it is confusing, but it is doable. Except that in section ST-0.5 of the IUPAC guidelines pointed out by Greg https://www.degruyter.com/document/doi/10.1351/pac200678101897/html it says that "stereobonds between stereocenters should be avoided at all costs".
Just that there are times when "stereobonds between stereocenters" are not avoidable, if all four neighbours of a chiral carbon are themselves chiral. I guess for practical purposes having H's could make things clearer, but in theory you may not need them for chiral atoms. Ling Mark Mackey via Rdkit-discuss <rdkit-discuss@lists.sourceforge.net> 於 2021年3月10日週三 上午2:33寫道： > I believe it's not possible to represent the chirality of the attached > molecule's ring fusion carbons without using an explicit H. > > Regards, > Mark > > -- > Mark Mackey > Chief Scientific Officer > Cresset > New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 > 0SS, UK > tel: +44 (0)1223 858890 mobile: +44 (0)7595 099165 fax: +44 (0)1223 > 853667 > email: m...@cresset-group.com web: www.cresset-group.com skype: > mark_cresset > > > > -----Original Message----- > From: Jean-Marc Nuzillard <jm.nuzill...@univ-reims.fr> > Sent: 08 March 2021 13:55 > To: RDKit Discuss <rdkit-discuss@lists.sourceforge.net> > Subject: [Rdkit-discuss] explicit H atoms > > Dear all, > > my question of the day is more general than directly related to RDKit but > the link is indirect. > > Is it always possible to represent an organic molecule in 2D with all > necessary configuration hints (bond wedges pointing to the front or to the > back) without introducing any explicit hydrogen atom? > > May be my question is very naive, all my apologies in advance for that. > > Best, > > Jean-Marc > > -- > Jean-Marc Nuzillard > Directeur de Recherches au CNRS > > Institut de Chimie Moléculaire de Reims > CNRS UMR 7312 > Moulin de la Housse > CPCBAI, Bâtiment 18 > BP 1039 > 51687 REIMS Cedex 2 > France > > Tel : 03 26 91 82 10 > Fax : 03 26 91 31 66 > http://www.univ-reims.fr/icmr > http://eos.univ-reims.fr/LSD/CSNteam.html > > http://www.univ-reims.fr/LSD/ > http://www.univ-reims.fr/LSD/JmnSoft/ > > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > This email has been sent from Cresset BioMolecular Discovery Limited, > registered in England and Wales, Company Number: 04151475. The information > in this email and any attachments are confidential and may be privileged. > It is intended solely for the addressee and access to this email by anyone > else is unauthorised. If an addressing or transmission error has > misdirected this email, please notify the author by replying to this email. > If you are not the intended recipient you must not use, disclose, > distribute, store or copy the information in any medium. Although this > e-mail and any attachments are believed to be free from any virus or other > defect which might affect any system into which they are opened or > received, it is the responsibility of the recipient to check that they are > virus-free and that they will in no way affect systems and data. No > responsibility is accepted by Cresset BioMolecular Discovery Limited for > any loss or damage arising in any way from their receipt, opening or use. > Privacy notice<https://www.cresset-group.com/privacy/> > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
