Deoxyadenosine-5'-Tri-3'-Diphosphate
[CAS# 69150-52-3]

Identification

• Name: Deoxyadenosine-5'-Tri-3'-Diphosphate
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Phosphono Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Oxolan-3-Yl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₈N₅O₁₈P₅
• Molecular Weight: 651.14
• CAS Registry Number: 69150-52-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](O[P](=O)(O)O)(=O)O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H18N5O18P5/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(30-37(24,25)31-34(16,17)18)6(29-7)2-28-36(22,23)33-38(26,27)32-35(19,20)21/h3-7H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
• InChIKey: HCCOSUQSYWESKP-RRKCRQDMSA-N

Properties

• Density: 2.739g/cm³ (Cal.)
• Boiling point: 1060.037°C at 760 mmHg (Cal.)
• Flash point: 594.889°C (Cal.)