[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Phenyl Hydrogen Phosphate
[CAS# 144828-27-3]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Phenyl Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Phenyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Phenyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Phenyl Hydrogen Phosphate
• Molecular Formula: C₁₆H₁₈N₅O₇P
• Molecular Weight: 423.32
• CAS Registry Number: 144828-27-3
• SMILES: [C@H]2(O[C@@H]([C@@H](O[P](OC1=CC=CC=C1)(=O)O)[C@H]2O)CO)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C16H18N5O7P/c17-14-11-15(19-7-18-14)21(8-20-11)16-12(23)13(10(6-22)26-16)28-29(24,25)27-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
• InChIKey: IKSVKPSJEVGDNO-XNIJJKJLSA-N

Properties

• Density: 1.867g/cm³ (Cal.)
• Boiling point: 766.531°C at 760 mmHg (Cal.)
• Flash point: 417.383°C (Cal.)