(2R,3R,4S,5R)-2-[2-Amino-6-[(4-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 129970-97-4]

Identification

• Name: (2R,3R,4S,5R)-2-[2-Amino-6-[(4-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[2-Amino-6-[(4-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[2-Amino-6-[(4-Nitrophenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[2-Amino-6-[(4-Nitrobenzyl)Thio]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₈N₆O₆S
• Molecular Weight: 434.43
• CAS Registry Number: 129970-97-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC(=N3)N)SCC4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
• InChIKey: BRSNNJIJEZWSBU-XNIJJKJLSA-N

Properties

• Density: 1.873g/cm³ (Cal.)
• Boiling point: 858.259°C at 760 mmHg (Cal.)
• Flash point: 472.858°C (Cal.)