9-beta-Xylofuranosyladenine 5'-Triphosphate
[CAS# 653-60-1]

Identification

• Name: 9-beta-Xylofuranosyladenine 5'-Triphosphate
• Synonyms: [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₃P₃
• Molecular Weight: 507.18
• CAS Registry Number: 653-60-1
• SMILES: [C@H]1(O[C@@H]([C@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6+,7-,10-/m1/s1
• InChIKey: ZKHQWZAMYRWXGA-GAWUUDPSSA-N

Properties

• Density: 2.636g/cm³ (Cal.)
• Boiling point: 951.429°C at 760 mmHg (Cal.)
• Flash point: 529.205°C (Cal.)