Information card for entry 4021125

Structure parameters

• Formula: C10 H15 N3 O8
• Calculated formula: C10 H15 N3 O8
• SMILES: O=C1NC(=O)NC(=C1N(=O)=O)CC[C@@H](O)[C@@H](O)[C@@H](O)CO
• Title of publication: Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes
• Authors of publication: Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6996 - 7003
• a: 9.23 ± 0.005 Å
• b: 7.452 ± 0.003 Å
• c: 18.389 ± 0.009 Å
• α: 90°
• β: 95.39 ± 0.03°
• γ: 90°
• Cell volume: 1259.3 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No