Structure of the monosodium salt of D-glucose 6-hydrogenphosphate

Narendra, N. ; Viswamitra, M. A. (1985) Structure of the monosodium salt of D-glucose 6-hydrogenphosphate Acta Crystallographica Section C, 41 (11). pp. 1621-1624. ISSN 0108-2701

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Na+.C6H12O 9P-, Mr=282.1,monoclinic,P21,a=5·762([), b=7·163(2), c=12.313 Å, β=99.97(1)0, U=500.5Å3 ,Z=2,Dm=1.86,Dx=1.87 Mgm-3,Cu Ka,λ=1.5418Å,μ=3.3mm-1, F(OOO) = 292, T = 300 K, final R for 922 observed reflections is 0·042. The phosphate ester bond P-O(6), is 1·575 (5) Å, slightly shorter than the P-O bond in monopotassium phosphoenolpyruvate [1.612(6)Å] [Hosur & Viswamitra (1981). Acta Cryst. B37, 839-843]. The pyranose sugar ring takes a 4C1 chair conformation. The conformation about the exocyclic C(5)-C(6) bond is gauche-trans. The endocyclic C-O bonds in the glucose ring are nearly equal with C(5)-O(5) = 1.436(9)Å. The sodium ion has seven near neighbours within a distance of 2·9 Å. The crystal structure is stabilized by hydrogen bonds between the 0 atoms of symmetry­ related molecules.

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