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. 2017 Mar 21;3(4):322–328. doi: 10.1021/acscentsci.7b00085

Table 5. Calculations for Intermediates in Reaction Network of Figure 2 for the Case of Phe-I and d-Ribose.

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  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