5-甲基-2'-脱氧胞苷的结构。
Structure of 5-methyl-2'-deoxycytidine.
作者信息
Sato T
机构信息
Shionogi Research Laboratories, Shionogi & Co. Ltd, Osaka, Japan.
出版信息
Acta Crystallogr C. 1988 May 15;44 ( Pt 5):870-2. doi: 10.1107/s0108270188000897.
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.
C₁₀H₁₅N₃O₄，Mr = 241.2，正交晶系，P2(1)2(1)2(1)，a = 10.454(1)，b = 11.922(1)，c = 9.057(1) Å，V = 1128.9(1) ų，Z = 4，Dχ = 1.419 Mg m⁻³，Cu Kα辐射，λ = 1.54178 Å，μ = 0.95 mm⁻¹，F(000) = 512，室温，对于1186个观测反射，R = 0.029。该分子具有一个典型的与反式碱基相关的C(2')-内型(2E)呋喃糖环。C(5)处的甲基取代导致C(5)处的环内键角减小2.6°。环氧原子O(4')参与了分子间氢键。
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