[(2R,3S,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-(6-Methoxypurin-9-Yl)Oxolan-3-Yl] Pentanoate
[CAS# 121032-22-2]

Identification

• Name: [(2R,3S,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-(6-Methoxypurin-9-Yl)Oxolan-3-Yl] Pentanoate
• Synonyms: [(2R,3S,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-(6-Methoxypurin-9-Yl)Tetrahydrofuran-3-Yl] Pentanoate; Pentanoic Acid [(2R,3S,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-(6-Methoxy-9-Purinyl)-3-Tetrahydrofuranyl] Ester; Valeric Acid [(2R,3S,4R,5R)-4-Hydroxy-2-(6-Methoxypurin-9-Yl)-5-Methylol-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₂₂N₄O₆
• Molecular Weight: 366.37
• CAS Registry Number: 121032-22-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1OC(=O)CCCC)CO)[N]2C3=C(N=C2)C(=NC=N3)OC
• InChI: 1S/C16H22N4O6/c1-3-4-5-10(22)26-13-12(23)9(6-21)25-16(13)20-8-19-11-14(20)17-7-18-15(11)24-2/h7-9,12-13,16,21,23H,3-6H2,1-2H3/t9-,12-,13+,16-/m1/s1
• InChIKey: RXPBLZGHNSDINK-NJYNRLGGSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 593.576°C at 760 mmHg (Cal.)
• Flash point: 312.784°C (Cal.)