[(2R,3S,5S)-5-(6-Amino-2-Bromopurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 106867-29-2]

Identification

• Name: [(2R,3S,5S)-5-(6-Amino-2-Bromopurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5S)-5-(6-Amino-2-Bromo-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-5-(6-Amino-2-Bromo-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-5-(6-Amino-2-Bromo-Purin-9-Yl)-3-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅BrN₅O₁₂P₃
• Molecular Weight: 570.08
• CAS Registry Number: 106867-29-2
• SMILES: [C@@H]1(CO[P](=O)(O)O[P](=O)(O)O[P](=O)(O)O)[C@@H](O)C[C@H](O1)[N]2C=NC3=C2N=C(N=C3N)Br
• InChI: 1S/C10H15BrN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6-/m0/s1
• InChIKey: FLYRFEYNGPLUFC-JKUQZMGJSA-N

Properties

• Density: 2.745g/cm³ (Cal.)
• Boiling point: 982.982°C at 760 mmHg (Cal.)
• Flash point: 548.288°C (Cal.)