8-Bromoadenosine 5'-Triphosphate
[CAS# 23567-97-7]

Identification

• Name: 8-Bromoadenosine 5'-Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-8-Bromo-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-8-Bromo-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-8-Bromo-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅BrN₅O₁₃P₃
• Molecular Weight: 586.08
• CAS Registry Number: 23567-97-7
• 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=C3)N)Br
• InChI: 1S/C10H15BrN5O13P3/c11-9-14-3-1-13-10(12)15-7(3)16(9)8-6(18)5(17)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,17-18H,2H2,(H,22,23)(H,24,25)(H2,12,13,15)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
• InChIKey: MLZIRTYVMLUIKK-UAKXSSHOSA-N

Properties

• Density: 2.86g/cm³ (Cal.)
• Boiling point: 1009.743°C at 760 mmHg (Cal.)
• Flash point: 564.472°C (Cal.)