Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory. Table. 2 The calculated acidity values (∆Hacid) in kcal.mol-1 for acidic sites of Deoxy-hexose sugars at the B3LYLP/6-311++G (d,p) level of theory.
Acidic sites CH3-pentose CH3-pentose Aldo-pentose Aldo-pentose Aldo-pentose Aldo-pentose
L-fucose L-rhamnose D-xylose L-lyxose D-ribose L-arabinose
C1-HO1 346 355 348 345 348 348
C2-HO2 350 369 (eq) 350 343 (ax) 348 351
C3-HO3 350 349 351 347 345(ax) 349
C4-HO4 355 (eq) 354 355 353 348 ˂ 348(ax)