2-Fluoro-ATP
[CAS# 1492-62-2]

Identification

• Name: 2-Fluoro-ATP
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅FN₅O₁₃P₃
• Molecular Weight: 525.17
• CAS Registry Number: 1492-62-2
• SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=C(N=C3N)F
• InChI: 1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
• InChIKey: PIOKUWLZUXUBCO-UUOKFMHZSA-N

Properties

• Density: 2.69g/cm³ (Cal.)
• Boiling point: 1006.234°C at 760 mmHg (Cal.)
• Flash point: 562.35°C (Cal.)