2-Amino-2'-Deoxyadenosine 5'-Triphosphate
[CAS# 81503-63-1]

Identification

• Name: 2-Amino-2'-Deoxyadenosine 5'-Triphosphate
• Synonyms: [(2R,3S,5R)-5-(2,6-Diaminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(2,6-Diamino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(2,6-Diaminopurin-9-Yl)-3-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₇N₆O₁₂P₃
• Molecular Weight: 506.20
• CAS Registry Number: 81503-63-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC(=N3)N)N
• InChI: 1S/C10H17N6O12P3/c11-8-7-9(15-10(12)14-8)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)(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1
• InChIKey: JFVJZFMWJVSZNC-KVQBGUIXSA-N

Properties

• Density: 2.638g/cm³ (Cal.)
• Boiling point: 1007.169°C at 760 mmHg (Cal.)
• Flash point: 562.916°C (Cal.)