3'-Deoxyadenosine 5'-Triphosphate
[CAS# 73-04-1]

Identification

• Name: 3'-Deoxyadenosine 5'-Triphosphate
• Synonyms: [(2S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₂P₃
• Molecular Weight: 491.18
• CAS Registry Number: 73-04-1
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
• InChIKey: NLIHPCYXRYQPSD-BAJZRUMYSA-N

Properties

• Density: 2.517g/cm³ (Cal.)
• Boiling point: 913.296°C at 760 mmHg (Cal.)
• Flash point: 506.143°C (Cal.)