1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxidopyrazin-4-Ium-2-One
[CAS# 34597-52-9]

Identification

• Name: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxidopyrazin-4-Ium-2-One
• Synonyms: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxido-Pyrazin-4-Ium-2-One; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-Oxido-2-Pyrazin-4-Iumone; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4-Oxido-Pyrazin-4-Ium-2-One
• Molecular Formula: C₉H₁₂N₂O₆
• Molecular Weight: 244.20
• CAS Registry Number: 34597-52-9
• SMILES: [C@H]2(N1C(C=[N+](C=C1)[O-])=O)[C@@H]([C@H](O)[C@H](O2)CO)O
• InChI: 1S/C9H12N2O6/c12-4-5-7(14)8(15)9(17-5)11-2-1-10(16)3-6(11)13/h1-3,5,7-9,12,14-15H,4H2/t5-,7-,8-,9-/m1/s1
• InChIKey: RXZPAINEZWIFJD-ZOQUXTDFSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 562.028°C at 760 mmHg (Cal.)
• Flash point: 293.704°C (Cal.)