Adenosine-5'-Mononicotinate
[CAS# 17274-96-3]

Identification

• Name: Adenosine-5'-Mononicotinate
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; Nicotinic Acid [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₁₆H₁₆N₆O₅
• Molecular Weight: 372.34
• CAS Registry Number: 17274-96-3
• SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O)C3O)COC(=O)C4=CC=CN=C4)N
• InChI: 1S/C16H16N6O5/c17-13-10-14(20-6-19-13)22(7-21-10)15-12(24)11(23)9(27-15)5-26-16(25)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,15,23-24H,5H2,(H2,17,19,20)
• InChIKey: VGCXTXVOZXMMDR-UHFFFAOYSA-N

Properties

• Density: 1.796g/cm³ (Cal.)
• Boiling point: 708.598°C at 760 mmHg (Cal.)
• Flash point: 382.346°C (Cal.)