Diadenosine5',5'-pyrophosphate
[CAS# 2596-55-6]

Identification

• Name: Diadenosine5',5'-pyrophosphate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₆N₁₀O₁₃P₂
• Molecular Weight: 676.43
• CAS Registry Number: 2596-55-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]4O)(=O)O)(=O)O)CO)[N]5C6=C(N=C5)C(=NC=N6)N
• InChI: 1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(34)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-12(33)7(1-31)40-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
• InChIKey: WCHSQACWYIQTKL-XPWFQUROSA-N

Properties

• Density: 2.438g/cm³ (Cal.)
• Boiling point: 1143.943°C at 760 mmHg (Cal.)
• Flash point: 645.633°C (Cal.)