1-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,2,4-Triazole-3-Carboxamide
[CAS# 66510-90-5]

Identification

• Name: 1-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1,2,4-Triazole-3-Carboxamide
• Synonyms: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1,2,4-Triazole-3-Carboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1,2,4-Triazole-3-Carboxamide; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1,2,4-Triazole-3-Carboxamide
• Molecular Formula: C₈H₁₂N₄O₅
• Molecular Weight: 244.21
• CAS Registry Number: 66510-90-5
• SMILES: [C@@H]2([N]1N=C(C(N)=O)N=C1)O[C@H](CO)[C@H]([C@H]2O)O
• InChI: 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
• InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

Properties

• Density: 2.1±0.1g/cm³ (Cal.)
• Boiling point: 639.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 340.7±34.3°C (Cal.)
• solubility: Soluble to 100 mM in water and to 100 mM in DMSO

References

• (1): Anna Leisvuori, Yuichiro Aiba, Tuomas Lönnberg, Päivi Poijärvi-Virta, Laurence Blatt, Leo Beigelman and Harri Lönnberg. Chemical and enzymatic stability of amino acid derived phosphoramidates of antiviral nucleoside 5′-monophosphates bearing a biodegradable protecting group, Org. Biomol. Chem., 2010, 8, 2131.