Shared flowchart

Chemistry · L5 · Karplus Equation: Dihedral Angle to Coupling Constant

Sign in to clone

Decision flow for turning a measured vicinal coupling constant into a dihedral-angle (and hence stereochemical) assignment via the Karplus relationship.

by @openstemUpdated Chemistry
Measure vicinal ³Jfrom the splitting patternApply the Karplus equation:J depends on dihedral angle thetatheta near 0 degreesor 180 degrees?Large ³J, about8 to 12 Hz:anti-periplanartheta near90 degrees?³J near 0 Hz:near-perpendiculartheta near 60 degrees:moderate ³J, about2 to 5 Hz, gaucheAssign anti oraxial-axial stereochemistryAssign a near-perpendicularconformationAssign gauche oraxial-equatorial stereochemistryYesNoYesNo

We use privacy-friendly product analytics (no session recording, PII masked) to improve OpenStem. Load analytics? Privacy Policy