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structurelevels [2012/10/15 18:05] sanmarkstructurelevels [2012/11/07 12:38] rkiss
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 //Compounds// can have more symmetries than //structures//. In //compounds// neither the number of hydrogens nor the position of some hydrogens are fixed. A //compound// can represent all realistic tautomeric and protonation states (//structures//). Therefore those asymmetry centers that are present only in one potential //structure// (tautomer and protonation state) are not treated as stereogenic at the //compound level//. Similarly, some cis-trans bonds found a //structure// might be missing from the corresponding //compound//. //Compounds// can have more symmetries than //structures//. In //compounds// neither the number of hydrogens nor the position of some hydrogens are fixed. A //compound// can represent all realistic tautomeric and protonation states (//structures//). Therefore those asymmetry centers that are present only in one potential //structure// (tautomer and protonation state) are not treated as stereogenic at the //compound level//. Similarly, some cis-trans bonds found a //structure// might be missing from the corresponding //compound//.
  
-===Relations===+{{ :speclevel2.png |}} 
 + 
 +====Relations====
  
 The three structure levels have the following relations: //compounds// can have (can be represented by) multiple //structures//, and //structures// with well-defined, known configurations can have multiple //conformers//. Inversely, //conformers// have exactly one //structure//, and //structures// have exactly one //compound//. The three structure levels have the following relations: //compounds// can have (can be represented by) multiple //structures//, and //structures// with well-defined, known configurations can have multiple //conformers//. Inversely, //conformers// have exactly one //structure//, and //structures// have exactly one //compound//.
structurelevels.txt · Last modified: 2013/02/07 09:59 by sanmark