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In the title compound, 4-amino-3-propynyl-1-(beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate, C13H15N5O4.CH3OH, the torsion angle of the N-glycosylic bond is between anti and high-anti [chi = -101.8 (5) degrees ]. The ribofuranose moiety adopts the C3'-endo (3T2) sugar conformation (N-type) and the conformation at the exocyclic C-C bond is +sc (gauche, gauche). The propynyl group is out of the plane of the nucleobase and is bent. The compound forms a three-dimensional network which is stabilized by several hydrogen bonds (O-H...O and O-H...N). The nucleobases are stacked head-to-tail. The methanol solvent molecule forms hydrogen bonds with both the nucleobase and the sugar moiety.
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
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Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
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Acta crystallographica. Section C, Crystal structure communications,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
March 2019,
Molecules (Basel, Switzerland),
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
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Acta crystallographica. Section C, Crystal structure communications,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
February 1997,
Journal of medicinal chemistry,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
July 2009,
Acta crystallographica. Section E, Structure reports online,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
February 1989,
Nucleic acids research,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
March 2002,
Acta crystallographica. Section C, Crystal structure communications,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
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Nucleosides, nucleotides & nucleic acids,
Wenqing Lin, and
Kuiying Xu, and
Henning Eickmeier, and
Frank Seela
October 2022,
Bioconjugate chemistry,
