(1xi)-1,4-Anhydro-2-Deoxy-1-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-3-Yl)-D-Erythro-Pentitol
[CAS# 205052-56-8]

Identification

• Name: (1xi)-1,4-Anhydro-2-Deoxy-1-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-3-Yl)-D-Erythro-Pentitol
• Synonyms: 1H-Pyrrole-2,5-dione, 3-(2-deoxy-β-D-erythro-pentofuranosyl)-; 2'-Deoxyshowdomycin
• Molecular Formula: C₉H₁₁NO₅
• Molecular Weight: 213.19
• CAS Registry Number: 205052-56-8
• SMILES: O=C1\C=C(/C(=O)N1)C2O[C@H](CO)[C@@H](O)C2
• InChI: 1S/C9H11NO5/c11-3-7-5(12)2-6(15-7)4-1-8(13)10-9(4)14/h1,5-7,11-12H,2-3H2,(H,10,13,14)/t5-,6?,7+/m0/s1
• InChIKey: MZWAWAFXHHZJDT-REJBHVJUSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 506.709°C at 760 mmHg (Cal.)
• Flash point: 260.249°C (Cal.)
• Refractive index: 1.606 (Cal.)