[(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
[CAS# 131956-47-3]

Identification

• Name: [(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
• Synonyms: [(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
• Molecular Formula: C₁₇H₂₁N₅O₈
• Molecular Weight: 423.38
• CAS Registry Number: 131956-47-3
• 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
• 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
• InChIKey: JJUQKQGYGMRGLQ-PGHQIFJOSA-N

Properties

• Density: 1.936g/cm³ (Cal.)
• Boiling point: 756.872°C at 760 mmHg (Cal.)
• Flash point: 411.541°C (Cal.)