2-Trifluoromethyl-Adenosine
[CAS# 4627-40-1]

Identification

• Name: 2-Trifluoromethyl-Adenosine
• Synonyms: 2-[6-Amino-2-(Trifluoromethyl)Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[6-Amino-2-(Trifluoromethyl)-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; 2-[6-Amino-2-(Trifluoromethyl)Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₁H₁₂F₃N₅O₄
• Molecular Weight: 335.24
• CAS Registry Number: 4627-40-1
• SMILES: C2=NC1=C(N=C(C(F)(F)F)N=C1[N]2C3OC(C(C3O)O)CO)N
• InChI: 1S/C11H12F3N5O4/c12-11(13,14)10-17-7(15)4-8(18-10)19(2-16-4)9-6(22)5(21)3(1-20)23-9/h2-3,5-6,9,20-22H,1H2,(H2,15,17,18)
• InChIKey: XZAXKLMYAMKNFC-UHFFFAOYSA-N

Properties

• Density: 2.118g/cm³ (Cal.)
• Boiling point: 462.313°C at 760 mmHg (Cal.)
• Flash point: 233.399°C (Cal.)