. Author manuscript; available in PMC: 2010 Sep 17.

Published in final edited form as: J Phys Chem B. 2009 Sep 17;113(37):12466–12476. doi: 10.1021/jp905496e

Table 3.

Calculated solution densities at different concentrations of monosaccharides in a box of water with 1100 water molecules at T = 298K and P = 1 atm.

Compound	Molality (mol/kg)	N_solute	Expt (g/cc)⁴⁸	Calc (g/cc)	% error
Arabinofuranose	0.10	2	1.003	1.017	1.40
	0.20	4	1.008	1.021	1.29
	0.30	6	1.014	1.025	1.08
Fructofuranose	0.10	2	1.004	1.018	1.39
	0.20	4	1.011	1.023	1.19
	0.30	6	1.017	1.028	1.08
Lyxofuranose	0.20	4	1.008	1.021	1.29
	0.30	6	1.013	1.025	1.18
	0.36	7	1.017	1.027	0.98
Ribofuranose	0.10	2	1.003	1.017	1.40
	0.20	4	1.008	1.021	1.29
	0.30	6	1.013	1.025	1.18
Xylofuranose	0.10	2	1.008	1.017	0.89
	0.20	4	1.013	1.021	0.79
	0.30	6	1.017	1.025	0.79

Average					1.15