A novel coordination compound cesium d-gluconate, Cs[D-C6H11O7], have been synthesized and characterized by chemical analysis, elemental analysis, and X-ray diffraction technique. Single-crystal X-ray analysis reveals that the crystal of the compound is monoclinic with space group P21 and Z = 2. The d-gluconate anion in the compound of Cs[D-C6H11O7](s) has a bent-chain conformation, and exhibits an obvious chelate property of d-gluconate anions to cesium(І) cations. The lattice potential energy and ionic volume of the common anion are obtained from crystallographic data. The standard molar enthalpy of formation of the compound Cs[D-C6H11O7](s) is determined to be - (1789.21 ± 0.52) kJ mol−1 by use of an isoperibol solution-reaction calorimeter. The heat capacities of Cs[D-C6H11O7](s) were measured using a Quantum Design Physical Property Measurement System (PPMS) over the temperature range from (1.9–300) K, and the experimental values were fitted as a function of temperature using a series of theoretical and empirical models in the appropriate temperature ranges, from which the corresponding thermodynamic functions were calculated. The molar heat capacity, entropy and enthalpy of Cs[D-C6H11O7](s) at T = 298.15 K and P = 0.1 MP were determined to be Cp,m0=(204.93+2.05)J⋅K−1⋅mol−1, Sm0=(228.21+2.28)J⋅K−1⋅mol−1 and Hm0=(33.928+0.339)kJ⋅mol−1, respectively.