Benzo-adenosine triphosphate
[CAS# 61925-58-4]

Identification

• Name: Benzo-adenosine triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(8-Aminoimidazo[4,5-G]Quinazolin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(8-Amino-3-Imidazo[4,5-G]Quinazolinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(8-Aminoimidazo[4,5-G]Quinazolin-3-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₄H₁₈N₅O₁₃P₃
• Molecular Weight: 557.24
• CAS Registry Number: 61925-58-4
• SMILES: [C@H]4([N]3C2=CC1=NC=NC(=C1C=C2N=C3)N)[C@H](O)[C@H](O)[C@H](O4)CO[P](=O)(O[P](=O)(O[P](=O)(O)O)O)O
• InChI: 1S/C14H18N5O13P3/c15-13-6-1-8-9(2-7(6)16-4-17-13)19(5-18-8)14-12(21)11(20)10(30-14)3-29-34(25,26)32-35(27,28)31-33(22,23)24/h1-2,4-5,10-12,14,20-21H,3H2,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
• InChIKey: GQKSSPZWXCSSJT-HKUMRIAESA-N

Properties

• Density: 2.443g/cm³ (Cal.)
• Boiling point: 995.832°C at 760 mmHg (Cal.)
• Flash point: 556.059°C (Cal.)