PPT-Conformations

Most single bonds are freely rotating in solution at room temperature with only very small barriers to free rotation Conformations are the various shapes of a molecule that are available to a molecule by single bond rotations and other changes that do not involve bondbreaking. H Me Et i-Pr t-Bu Ph H 1.0 1.4 1.5 1.6 3.0 1.7Me 1.4 2.5 2.7 3.0 8.5 3.3Et 1.5 2.7 3.3 Dr. Clower. CHEM 2411. Spring 2014. McMurry. (8. th. ed.) sections . 3.5-3.7. , . 4.3-4.9. , 7.2, 7.6. Topics. Conformations . of Alkanes and Cycloalkanes. Unsaturation. Alkene . Stability. Molecular Model Kits. Alkanes & Cycloalkane. Conformations. Conformations of Alkanes: . Rotation about Carbon–Carbon Bonds . Conformational Analysis. Drawing. . Acyclic Molecules. Newman Projections. Conformational Analysis. Background technology and its application to drug discovery. Barrie Martin, . MedChem. ELRIG Drug Discovery . September 2012 Manchester. Key Facts. Spin-out from the University of Manchester, 2008. Bionow. Guillermo . Restrepo. Laboratorio. de . Química. . Teórica. , Universidad de Pamplona, Pamplona, Colombia. 1. 2. Outline. Ranking. How we rank. Ranking problems. QSAR models. Docking programs. Conclusions. Alkanes. 240 . Chem. Chapter 2. 1. Hydrocarbons. 2. General Molecular Formula of Hydrocarbons. (Homologous Series) . 3. Carbon . Name . Molecular. Formula . Structural. Formula . 1. Methane . CH. 4. Sources . and Uses of Alkanes. Petro. leum. , which literally means . rock . oil. is the main source of alkanes. Petroleum is a mixture of hundreds of hydrocarbons, mostly alkanes with varying numbers of carbons and varying degrees of branching. Fall 2014. Dr. Sheppard. Conjugated Systems. Benzene . Commonly found in nature as pigments, hormones. Isoprene. Conjugated systems. Structure. Reactions. MO Theory. UV Spectroscopy. outline. Consider molecules with multiple double bonds…. L. L. L. R. R. L. L. R. R. L. L. water. DOCKING SIMULATIONS. water. R. L. R. L. L. R. L. R. L. R. DOCKING SIMULATIONS. Computer-aided drug design (CADD). Known ligand(s). No known ligand. Known protein structure. Cyclopropane Clhhihdfilidlbflii l as a hi g h d egree o f tors i ona l stra i n d ue to l arge num b er o f ec li ps i ng 49.5 Daley & Daley:. Chapter 3. Molecular conformations. Conformations of Organic Molecules. 3.1 Alkane conformation. Staggered vs. eclipsed. Representations (2D & 3D). Energies. . 3.2 Cycloalkane conformations. Chris Garlock. Protein Folding - Why is it important. Proteins are biological nano-machines which play apart in all of our bodies functions. Protein folding is the process all proteins undergo to assemble into their native structure. Two molecules are isomers of each other if they have the same molecular formula, but they are different in some way.. Their atoms can be connected in different ways; they can differ as a result of rotations about single bonds; or they can be mirror images of each other.. Chapter. 4. Alkanes. and . Cycloalkanes. David Klein. Copyright © 2015 John Wiley & Sons, Inc. All rights reserved.. Klein, Organic Chemistry 2e . 4.1 Alkanes. Hydro. carbon. s – compounds that are only composed of .