(2R,3R,4S,5R)-2-[6-Amino-2-(3-Nitrophenyl)Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 109875-47-0]

Identification

• Name: (2R,3R,4S,5R)-2-[6-Amino-2-(3-Nitrophenyl)Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[6-Amino-2-(3-Nitrophenyl)Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-Amino-2-(3-Nitrophenyl)-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-Amino-2-(3-Nitrophenyl)Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₆H₁₆N₆O₆
• Molecular Weight: 388.34
• CAS Registry Number: 109875-47-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]3C2=NC(=NC(=C2N=C3)N)C4=CC(=CC=C4)[N+]([O-])=O
• InChI: 1S/C16H16N6O6/c17-13-10-15(20-14(19-13)7-2-1-3-8(4-7)22(26)27)21(6-18-10)16-12(25)11(24)9(5-23)28-16/h1-4,6,9,11-12,16,23-25H,5H2,(H2,17,19,20)/t9-,11-,12-,16-/m1/s1
• InChIKey: ACAOMVAOUMITTJ-UBEDBUPSSA-N

Properties

• Density: 1.928g/cm³ (Cal.)
• Boiling point: 629.607°C at 760 mmHg (Cal.)
• Flash point: 334.575°C (Cal.)