4-beta-D-Ribofuranosyl-2-Thiazolecarboxamide
[CAS# 69244-25-3]

Identification

• Name: 4-beta-D-Ribofuranosyl-2-Thiazolecarboxamide
• Synonyms: 4-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Thiazole-2-Carboxamide; 4-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-Thiazolecarboxamide; 4-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Thiazole-2-Carboxamide
• Molecular Formula: C₉H₁₂N₂O₅S
• Molecular Weight: 260.26
• CAS Registry Number: 69244-25-3
• SMILES: [C@@H]2(C1=CSC(=N1)C(=O)N)O[C@@H]([C@H]([C@H]2O)O)CO
• InChI: 1S/C9H12N2O5S/c10-8(15)9-11-3(2-17-9)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7+/m1/s1
• InChIKey: OUMYBZQESQTRHV-GBNDHIKLSA-N

Properties

• Density: 1.648g/cm³ (Cal.)
• Boiling point: 599°C at 760 mmHg (Cal.)
• Flash point: 316.064°C (Cal.)

References

• (1): H. Li, S. D. Kennedy and B. M. Goldstein. Solid-state and solution conformations of isotiazofurin: crystallographic, computational and H NMR studies, Acta Cryst. (1993). B49, 729-738