2-[2-Amino-6-(Pyridin-2-Ylmethylsulfanyl)Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 13153-28-1]

Identification

• Name: 2-[2-Amino-6-(Pyridin-2-Ylmethylsulfanyl)Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: 2-[2-Amino-6-(2-Pyridylmethylsulfanyl)Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-(2-Pyridylmethylthio)-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-(2-Pyridylmethylthio)Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₆H₁₈N₆O₄S
• Molecular Weight: 390.42
• CAS Registry Number: 13153-28-1
• SMILES: C1=CC(=NC=C1)CSC2=NC(=NC3=C2N=C[N]3C4OC(CO)C(O)C4O)N
• InChI: 1S/C16H18N6O4S/c17-16-20-13-10(14(21-16)27-6-8-3-1-2-4-18-8)19-7-22(13)15-12(25)11(24)9(5-23)26-15/h1-4,7,9,11-12,15,23-25H,5-6H2,(H2,17,20,21)
• InChIKey: HXUKVSGGBZUOKA-UHFFFAOYSA-N

Properties

• Density: 1.813g/cm³ (Cal.)
• Boiling point: 795.637°C at 760 mmHg (Cal.)
• Flash point: 434.986°C (Cal.)