[(2S,4S,5R)-5-(6-Aminopurin-9-Yl)-4-Fluorooxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 128531-73-7]

Identification

• Name: [(2S,4S,5R)-5-(6-Aminopurin-9-Yl)-4-Fluorooxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2S,4S,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2S,4S,5R)-5-(6-Amino-9-Purinyl)-4-Fluoro-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2S,4S,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅FN₅O₁₁P₃
• Molecular Weight: 493.18
• CAS Registry Number: 128531-73-7
• SMILES: [C@H]1(O[C@@H](C[C@@H]1F)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H15FN5O11P3/c11-6-1-5(2-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10H,1-2H2,(H,20,21)(H,22,23)(H2,12,13,14)(H2,17,18,19)/t5-,6-,10+/m0/s1
• InChIKey: XTYFOHFICSGRIG-JFWOZONXSA-N

Properties

• Density: 2.456g/cm³ (Cal.)
• Boiling point: 844.759°C at 760 mmHg (Cal.)
• Flash point: 464.694°C (Cal.)