[(1R,4S)-4-(2-氨基-6-氧代-3H-嘌呤-9-基)-1-环戊-2-烯基](2S,3S,4S,5R,6S)-3,4,5-三羟基-6-甲氧基四氢吡喃-2-羧酸酯
[CAS# 131956-47-3]

基本信息

• 产品名称: [(1R,4S)-4-(2-氨基-6-氧代-3H-嘌呤-9-基)-1-环戊-2-烯基](2S,3S,4S,5R,6S)-3,4,5-三羟基-6-甲氧基四氢吡喃-2-羧酸酯
• 英文名: [(1R,4S)-4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-1-Cyclopent-2-Enyl] (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxyoxane-2-Carboxylate
• 别名: [(1R,4S)-4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-1-Cyclopent-2-Enyl] (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-Tetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-2-Tetrahydropyrancarboxylic Acid [(1R,4S)-4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-1-Cyclopent-2-Enyl] Ester; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Methoxy-Tetrahydropyran-2-Carboxylic Acid [(1R,4S)-4-(2-Amino-6-Keto-3H-Purin-9-Yl)-1-Cyclopent-2-Enyl] Ester
• 分子式: C₁₇H₂₁N₅O₈
• 分子量: 423.38
• CAS 登录号: 131956-47-3
• 分子行输入简码 SMILES: [C@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1C(O[C@@H]4C[C@H]([N]2C3=C(N=C2)C(=O)N=C(N3)N)C=C4)=O)OC
• 国际化学标识码 InChI: 1S/C17H21N5O8/c1-28-16-11(25)9(23)10(24)12(30-16)15(27)29-7-3-2-6(4-7)22-5-19-8-13(22)20-17(18)21-14(8)26/h2-3,5-7,9-12,16,23-25H,4H2,1H3,(H3,18,20,21,26)/t6-,7+,9+,10+,11-,12+,16+/m1/s1
• 国际化学标识检索码 InChIKey: JJUQKQGYGMRGLQ-PGHQIFJOSA-N

物理化学性质

• 密度: 1.936g/cm³ （计算值）
• 沸点: 756.872°C at 760 mmHg （计算值）
• 闪点: 411.541°C （计算值）