[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
[CAS# 102029-96-9]

Identification

• Name: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Synonyms: adenylyl-(3'-->5')-adenosine; NSC220333
• Molecular Formula: C₂₀H₂₅N₁₀O₁₀P
• Molecular Weight: 596.45
• CAS Registry Number: 102029-96-9
• SMILES: O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC6C(OC(n5cnc4c(ncnc45)N)C6O)CO
• InChI: 1S/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(39-19)2-37-41(35,36)40-14-7(1-31)38-20(13(14)34)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)(H2,21,23,25)(H2,22,24,26)
• InChIKey: UYSXBCQACJTYFS-UHFFFAOYSA-N

Properties

• Density: 2.328g/cm³ (Cal.)
• Boiling point: 1081.329°C at 760 mmHg (Cal.)
• Flash point: 607.766°C (Cal.)
• Refractive index: 1.987 (Cal.)