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The structure of the monobarium salt of glucose 6-phosphate heptahydrate

Katti, SK and Seshadri, TP and Viswamitra, MA (1982) The structure of the monobarium salt of glucose 6-phosphate heptahydrate. In: Acta Crystallographica Section B, 38 (4). pp. 1136-1140.

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Abstract

C6H11o9P2-.Ba2+.7H2o, M, = 521.5, is monoclinic, space group P21, a = 11.881 (4), b = 8.616 (5), c = 8.350 (4) A,B = 102.95 (3)0, Z = 2, U = 833.0 A 3, d m = 2.09, d c = 2.08 Mg m -3, F(000) = 516. Mo Ka (u = 0.034 mm -1) intensity data. R is 0.068 for 1603 reflections. Of the two endocyclic C-O bonds in the glucose ring, C(5)-O(5) [1.463 (23)] is longer than C(1)-O(5) [1.395 (23)A]. The pyranose sugar ring takes a 4C1 chair conformation. The Cremer-Pople puckering parameters are, 0 = 6.69 o, Q = 0.619 A and 0 = 263.7o. The conformation about the exocyclic C(5)-C(6) bond is gauche-gauche, in contrast to gauche-trans observed in the structure of glucose 1-phosphate. The phosphate ester bond, P-O(6), is 1.61 (1)A. It is similar in length to the 'high-energy' P~O bond in phosphoenolpyruvate. The Ba 2÷ ion is surrounded by nine O atoms within a distance of 2.95 A, of which seven are from water molecules. There is an intramolecular hydrogen bond between the sugar hydroxyl 0(4) and phosphate oxygen O(12).

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Division of Biological Sciences > Microbiology & Cell Biology
Date Deposited: 09 Nov 2009 11:35
Last Modified: 19 Sep 2010 05:45
URI: http://eprints.iisc.ernet.in/id/eprint/23245

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