Structure of 5-methyl-2'-deoxycytidine.
C10H15N3O4, Mr = 241.2, orthorhombic, P2(1)2(1)2(1), a = 10.454 (1), b = 11.922 (1), c = 9.057 (1) A, V = 1128.9 (1) A3, Z = 4, D chi = 1.419 Mg m-3, Cu K alpha radiation, lambda = 1.54178 A, mu = 0.95 mm-1, F(000) = 512, room temperature, R = 0.029 for 1186 observed reflections. The molecule has a typical C(2')-endo (2E) furanose ring associated with an anti base. The methyl substituent at C(5) causes a decrease of 2.6 degrees in the endocyclic bond angle at C(5). The ring oxygen O(4') is involved in an intermolecular hydrogen bond.
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Shionogi Research Laboratories, Shionogi & Co. Ltd, Osaka, Japan.
D003841:Deoxycytidine / Q000031:analogs & derivatives*; D008958:Models, Molecular; D008968:Molecular Conformation; D012984:Software; D014961:X-Ray Diffraction / Q000379:methods
D003841:Deoxycytidine; C016569:5-methyldeoxycytidine