2-[2-Amino-6-[(4-nitrobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
[CAS# 13153-27-0]

Identification

• Name: 2-[2-Amino-6-[(4-nitrobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
• Synonyms: 2-[2-Amino-6-[(4-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(4-Nitrophenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 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: 13153-27-0
• SMILES: C1=NC3=C([N]1C2OC(CO)C(C2O)O)N=C(N)N=C3SCC4=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)
• InChIKey: BRSNNJIJEZWSBU-UHFFFAOYSA-N

Properties

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