Conformational analysis of natural products

b-2-deoxyribose ring coupling constants

β-2-deoxyribose (2-deoxy-erythro-pentose)

Here is a collection of correlations between carbon-proton coupling constants and pseudorotation angle (P) in unsubsituted β-2-deoxy-ribose, i.e. without base or phosphate. With some caution these couplings can be used as approximations for the corresponding coupling constants in nucleosides/nucleotides.
To calculate the coupling constant just enter the pseudorotation angle (P) in degrees. In some cases the relative amount of the two dominant C4'-C5' rotamers (gg and gt) is required. In nucleic acids gg is the sole rotamer present.

Pseudorotation angle (P) = °, gg rotamer = %
...or select a conformer


1JCH
C1'-H1' = Hz
C2'-H2'R = Hz, C2'-H2'S = Hz
C3'-H3' = Hz
C4'-H4' = Hz

2JCH
C1'-H2'R = Hz, C1'-H2'S = Hz
C2'-H1' = Hz, C2'-H3' = Hz
C3'-H2'R = Hz, C3'-H2'S = Hz, C3'-H4' = Hz
C4'-H3' = Hz, C4'-H5'R = Hz, C4'-H5'S = Hz
C5'-H4' = Hz

3JCH
C1'-H3' = Hz, C1'-H4' = Hz
C2'-H4' = Hz
C3'-H1' = Hz, C3'-H5'R = Hz, C3'-H5'S = Hz
C4'-H1' = Hz, C4'-H2'R = Hz, C4'-H2'S = Hz
C5'-H3' = Hz