Table 5. Calculations for Intermediates in Reaction Network of Figure 2 for the Case of Phe-I and d-Ribose.
energy (kcal/mol) for (X,X′) |
||||
---|---|---|---|---|
conformer | (S,R) | (S,S) | (R,R) | (R,S) |
most stable ADD | 1.2 | 0.1 | 0.7 | 0 |
most stable CYC | –6.0 | –7.0 | –8.4 | –7.8 |
free energy barrier for cyclization of deprotonated ADD to CYC | 3.9 | 3.2 | 3.9 | 1.1 |