(2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(Difluoromethyl)Oxolane-3,4-Diol
[CAS# 131077-98-0]

Identification

• Name: (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(Difluoromethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5S)-2-(6-Amino-9-Purinyl)-5-(Difluoromethyl)Tetrahydrofuran-3,4-Diol; 5'-Deoxy-5'-Difluoroadenosine; (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(Difluoromethyl)Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₀H₁₁F₂N₅O₃
• Molecular Weight: 287.23
• CAS Registry Number: 131077-98-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C(F)F)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H11F2N5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-7,10,18-19H,(H2,13,14,15)/t4-,5+,6-,10+/m0/s1
• InChIKey: YQLJSFYLQCBEKY-LKCKTBJASA-N

Properties

• Density: 2.101g/cm³ (Cal.)
• Boiling point: 612.252°C at 760 mmHg (Cal.)
• Flash point: 324.079°C (Cal.)