6-Chloro-9 beta-D-Ribofuranosylpurine-5'-Triphosphate
[CAS# 55673-61-5]

Identification

• Name: 6-Chloro-9 beta-D-Ribofuranosylpurine-5'-Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Chloropurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Chloro-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Chloropurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄ClN₄O₁₃P₃
• Molecular Weight: 526.61
• CAS Registry Number: 55673-61-5
• 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)Cl
• InChI: 1S/C10H14ClN4O13P3/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)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: WNBYTJKDDLUPCV-KQYNXXCUSA-N

Properties

• Density: 2.57g/cm³ (Cal.)
• Boiling point: 902.076°C at 760 mmHg (Cal.)
• Flash point: 499.358°C (Cal.)