Computational insight into networking H-bonds in open and cyclic forms of galactose

•A cooperative network of trifurcated and bifurcated in addition to normal H-bonds were found in the conjugate base of O-Gal. In contrast, bifurcated and normal H-bond were observed in the conjugate base of cyclic galactose and neutral form of O-Gal.•Based on acidity values (ΔHacid), galactose in open form (O-Gal) is more acidic than its cyclic form (Gal).•The acidity value for galactose in open and cyclic forms exhibit significantly lower values (i.e., stronger acid) compared to the reported acidity value for α-/ß- anomers of D-glucopyranose and simple alcohols because their conjugate bases are more stabilized through intramolecular H-bonds like trifurcated and bifurcated H-bonds.