From: Reinhard D. <du...@sc...> - 2006-03-07 17:36:37
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I am looking at Appendix 1 "InChI Standard Valences" of "The IUPAC Chemical Identifier - Technical Manual". Very useful! So N and O+ can have three valences. But how could they also have five valences, as stated? Wasn't it called the "Octet Rule": atoms in the periodic system row Li through Ne can have a maximum of four bonds? PubChem strictly specifies an -NO2 group with separated charges, instead of two double bonds to both oxygens. I don't remember having seen an O+ specified with five valences. Surprising is also that Appendix 1 specifies an uncharged S with four valences should not be bonded to a hydrogen (marked with a star in the appendix). Bleomycin (http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2411) would violate this assumption. Do these "Standard Valences" influence a created InChI? ThanX Reinhard |