2',3'-Di-O-Nitro-(5'-N-Ethylcarboxamido)Adenosine
[CAS# 61014-07-1]

Identification

• Name: 2',3'-Di-O-Nitro-(5'-N-Ethylcarboxamido)Adenosine
• Synonyms: [(2R,3R,4R,5S)-2-(6-Aminopurin-9-Yl)-5-(Ethylcarbamoyl)-4-Nitrooxy-Tetrahydrofuran-3-Yl] Nitrate; Nitric Acid [(2R,3R,4R,5S)-2-(6-Amino-9-Purinyl)-5-(Ethylcarbamoyl)-4-Nitrooxy-3-Tetrahydrofuranyl] Ester; Nitric Acid [(2R,3R,4R,5S)-2-(6-Aminopurin-9-Yl)-5-(Ethylcarbamoyl)-4-Nitrooxy-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₂H₁₄N₈O₈
• Molecular Weight: 398.29
• CAS Registry Number: 61014-07-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O[N+]([O-])=O)[C@H]1O[N+]([O-])=O)C(=O)NCC)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H14N8O8/c1-2-14-11(21)7-6(27-19(22)23)8(28-20(24)25)12(26-7)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12-/m1/s1
• InChIKey: CHMXERRSDPKARP-BSFVXNEUSA-N

Properties

• Density: 2.062g/cm³ (Cal.)