[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 73449-07-7]

Identification

• Name: [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Amino-9-Purinyl)-4-Fluoro-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-3-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅FN₅O₁₂P₃
• Molecular Weight: 509.17
• CAS Registry Number: 73449-07-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[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/C10H15FN5O12P3/c11-5-7(17)4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1
• InChIKey: CCXCDDWASROAJA-QYYRPYCUSA-N

Properties

• Density: 2.571g/cm³ (Cal.)
• Boiling point: 914.239°C at 760 mmHg (Cal.)
• Flash point: 506.713°C (Cal.)