Adenosine 5'-Triphosphate 3'-Diphosphate
[CAS# 53951-06-7]

Identification

• Name: Adenosine 5'-Triphosphate 3'-Diphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Oxolan-3-Yl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₈N₅O₁₉P₅
• Molecular Weight: 667.14
• CAS Registry Number: 53951-06-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](O[P](=O)(O)O)(=O)O)[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/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(31-38(25,26)32-35(17,18)19)4(30-10)1-29-37(23,24)34-39(27,28)33-36(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: BEZXPSZCIDIMAS-KQYNXXCUSA-N

Properties

• Density: 2.839g/cm³ (Cal.)
• Boiling point: 1123.69°C at 760 mmHg (Cal.)
• Flash point: 633.385°C (Cal.)