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The Structure of the Monosodium Salt of Cytidine(5')diphosphoethanolamine

Katti, SK and Viswamitra, MA (1981) The Structure of the Monosodium Salt of Cytidine(5')diphosphoethanolamine. In: Acta Crystallographica Section B-Structural Science, 37 (May). pp. 1058-1063.

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CI1H19N4OIIP2.Na+.TH2 O, Mr = 594.08, is orthorhombic, space group P21212 l, with a = 6.946 (2), b = 12.503 (4), c = 28.264 (8)/k, U = 2454.6 A, a, D x = 1.61 Mg m -a, Z = 4, ~t(CuKa) = 2.612 mm -1, F(000) = 1244. Final R = 0.101 for 1454 observed reflections. The cytosine base is in the anti conformation with respect to the sugar (ZCN = 62"60) . The ribose exhibits an uncommon C(l')exo-C(2')endo puckering. The pyrophosphate has a characteristic staggered geometry. The conformation about P(2)-O(7') is trans (-103.4°). This makes CDPethanolamine more extended compared to the folded geometry of CDP-choline, which has a gauche conformation (71.3 o). The molecular interactions in the extended crystal structure, however, are similar to those found in CDP-choline, with the CMP-5' portions tightly bound by metal ligation and the phosphorylethanolamine parts only loosely held by water molecules.

Item Type: Journal Article
Publication: Acta Crystallographica Section B-Structural Science
Publisher: International Union of Crystallography.
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 11 Jan 2010 07:38
Last Modified: 19 Sep 2010 05:46
URI: http://eprints.iisc.ac.in/id/eprint/23590

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