N6-(Para-Nitrobenzyl)Adenosine
[CAS# 40297-54-9]

Identification

• Name: N6-(Para-Nitrobenzyl)Adenosine
• Synonyms: 2-(Hydroxymethyl)-5-[6-[(4-Nitrophenyl)Methylamino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol; 2-(Hydroxymethyl)-5-[6-[(4-Nitrophenyl)Methylamino]-9-Purinyl]Tetrahydrofuran-3,4-Diol; 2-Methylol-5-[6-[(4-Nitrobenzyl)Amino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₈N₆O₆
• Molecular Weight: 402.37
• CAS Registry Number: 40297-54-9
• SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O)C3O)CO)NCC4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)
• InChIKey: VAQMNFPQRLLRMG-UHFFFAOYSA-N

Properties

• Density: 1.785g/cm³ (Cal.)
• Boiling point: 771.013°C at 760 mmHg (Cal.)
• Flash point: 420.094°C (Cal.)