1-(S)-(3-羟基-2-膦酰甲氧基丙基)胞嘧啶的结构；一种抗病毒剂。
Structure of 1-(S)-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine; an antiviral agent.
作者信息
Symerský J, Holý A
机构信息
University of Oklahoma, Department of Chemistry and Biochemistry, Norman 73019.
出版信息
Acta Crystallogr C. 1991 Oct 15;47 ( Pt 10):2104-7. doi: 10.1107/s0108270190013257.
4-Amino-1-(S)-[2-[(dihydroxyphosphoryl)-methoxy]-3-hydroxypropyl]- 2(1H)-pyrimidinone, C8H14N3O6P, Mr = 279.19, orthorhombic, P2(1)2(1)2(1), a = 6.926 (1), b = 9.084 (2), c = 18.602 (3) A, V = 1170.4 (4) A3, Z = 4, Dx = 1.58 (1) Mg m-3, lambda(Cu K alpha) = 1.54178 A, mu = 2.4 mm-1, F(000) = 584, T = 168 K, final R = 0.024 for 1393 unique observed reflections. The molecule has been found to exist in a folded zwitterionic form where the negatively charged phosphonyl group and the positively charged cytosine ring are in proximity. The crystal packing involves significant intermolecular hydrogen-bond contacts.
4-氨基-1-(S)-[2-[(二羟基磷酰基)-甲氧基]-3-羟丙基]-2(1H)-嘧啶酮，C8H14N3O6P，Mr = 279.19，正交晶系，P2(1)2(1)2(1)，a = 6.926(1)，b = 9.084(2)，c = 18.602(3) Å，V = 1170.4(4) Å3，Z = 4，Dx = 1.58(1) Mg m-3，λ(Cu Kα) = 1.54178 Å，μ = 2.4 mm-1，F(000) = 584，T = 168 K，对于1393个独特的观测反射，最终R = 0.024。已发现该分子以折叠两性离子形式存在，其中带负电荷的膦酰基和带正电荷的胞嘧啶环相邻。晶体堆积涉及大量分子间氢键接触。
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