2-[2-Amino-6-[(4-Methylphenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymet Hyl)Oxolane-3,4-Diol
[CAS# 93996-50-0]

Identification

• Name: 2-[2-Amino-6-[(4-Methylphenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymet Hyl)Oxolane-3,4-Diol
• Synonyms: 2-[2-Amino-6-[(4-Methylphenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(4-Methylphenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[2-Amino-6-[(4-Methylbenzyl)Thio]Purin-9-Yl]-5-Methylol-Tet
• Molecular Formula: C₁₈H₂₁N₅O₄S
• Molecular Weight: 403.46
• CAS Registry Number: 93996-50-0
• SMILES: C1=CC(=CC=C1C)CSC2=NC(=NC3=C2N=C[N]3C4OC(CO)C(O)C4O)N
• InChI: 1S/C18H21N5O4S/c1-9-2-4-10(5-3-9)7-28-16-12-15(21-18(19)22-16)23(8-20-12)17-14(26)13(25)11(6-24)27-17/h2-5,8,11,13-14,17,24-26H,6-7H2,1H3,(H2,19,21,22)
• InChIKey: FLHBOPXHOGGDGH-UHFFFAOYSA-N

Properties

• Density: 1.668g/cm³ (Cal.)
• Boiling point: 776.722°C at 760 mmHg (Cal.)
• Flash point: 423.547°C (Cal.)