Adenylyl 5'-Peroxydiphosphate
[CAS# 80589-10-2]

Identification

• Name: Adenylyl 5'-Peroxydiphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(Hydroperoxy-Hydroxy-Phosphoryl)Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(Hydroperoxy-Hydroxyphosphoryl)Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [(Hydroperoxy-Hydroxy-Phosphoryl)Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₄P₃
• Molecular Weight: 523.18
• CAS Registry Number: 80589-10-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](OO)(=O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H16N5O14P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(19,20)28-32(23,24)29-31(21,22)27-18/h2-4,6-7,10,16-18H,1H2,(H,19,20)(H,21,22)(H,23,24)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
• InChIKey: SGQCMEQGDCLJBU-KQYNXXCUSA-N

Properties

• Density: 2.631g/cm³ (Cal.)
• Boiling point: 940.116°C at 760 mmHg (Cal.)
• Flash point: 522.363°C (Cal.)