(2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(2,2-Difluoro-1-Sulfanylethyl)Oxolane-3,4-Diol
[CAS# 112606-73-2]

Identification

• Name: (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(2,2-Difluoro-1-Sulfanylethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(2,2-Difluoro-1-Sulfanyl-Ethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5S)-2-(6-Amino-9-Purinyl)-5-(2,2-Difluoro-1-Mercaptoethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(2,2-Difluoro-1-Mercapto-Ethyl)Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₁H₁₃F₂N₅O₃S
• Molecular Weight: 333.31
• CAS Registry Number: 112606-73-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C(S)C(F)F)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H13F2N5O3S/c12-8(13)7(22)6-4(19)5(20)11(21-6)18-2-17-3-9(14)15-1-16-10(3)18/h1-2,4-8,11,19-20,22H,(H2,14,15,16)/t4-,5+,6-,7?,11+/m0/s1
• InChIKey: QZHQGSPDUXGGIV-ZOXFDYRRSA-N

Properties

• Density: 2.064g/cm³ (Cal.)
• Boiling point: 651.951°C at 760 mmHg (Cal.)
• Flash point: 348.087°C (Cal.)