2'-deoxy-Adenosine 5'-(trihydrogen imidotriphosphate)
[CAS 119447-19-7]

Identification

• Name: 2'-deoxy-Adenosine 5'-(trihydrogen imidotriphosphate)
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydroxyphosphinimyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Dihydroxyphosphinimyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Oxolan-2-Yl]Methyl Dihydroxyphosphinimyl Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₆O₈P₂
• Molecular Weight: 410.22
• CAS Registry Number: 119447-19-7
• SMILES: [C@@H]1(CO[P](O[P](O)(O)=N)(=O)O)[C@@H](O)C[C@@H](O1)[N]2C=NC3=C2N=CN=C3N
• InChI: 1S/C10H16N6O8P2/c11-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(23-7)2-22-26(20,21)24-25(12,18)19/h3-7,17H,1-2H2,(H,20,21)(H2,11,13,14)(H3,12,18,19)/t5-,6+,7+/m0/s1
• InChIKey: UVSPZBVHHGHPMC-RRKCRQDMSA-N

Properties

• Density: 2.367g/cm³ (Cal.)
• Boiling point: 801.491°C at 760 mmHg (Cal.)
• Flash point: 438.526°C (Cal.)