3-Ribofuranosyl-6,7-Dihydro-9H-Thiazolo(3,2-a)Purin-9-One
[CAS# 52538-20-2]

Identification

• Name: 3-Ribofuranosyl-6,7-Dihydro-9H-Thiazolo(3,2-a)Purin-9-One
• Synonyms: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6,7-Dihydrothiazolo[3,2-A]Purin-9-One; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6,7-Dihydrothiazolo[3,2-A]Purin-9-One; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-6,7-Dihydrothiazolo[3,2-A]Purin-9-One
• Molecular Formula: C₁₂H₁₄N₄O₅S
• Molecular Weight: 326.33
• CAS Registry Number: 52538-20-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=O)N4C(=N3)SCC4
• InChI: 1S/C12H14N4O5S/c17-3-5-7(18)8(19)11(21-5)16-4-13-6-9(16)14-12-15(10(6)20)1-2-22-12/h4-5,7-8,11,17-19H,1-3H2/t5-,7-,8-,11-/m1/s1
• InChIKey: FHDYGGODWWOZRQ-IOSLPCCCSA-N

Properties

• Density: 2.134g/cm³ (Cal.)
• Boiling point: 760.305°C at 760 mmHg (Cal.)
• Flash point: 413.618°C (Cal.)

References

• (1): Y.-C. Liaw, A. H.-J. Wang, G.-S. Lin and J.-W. Chern. 3-[beta]-D-Ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one hydrate, Acta Cryst. (1994). C50, 734-736