(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[4-(5-Nitrofuran-2-Yl)-1,3-Thiazol-2-Yl]Amino]Oxane-2-Carboxylic Acid
[CAS# 131579-68-5]

Identification

• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[4-(5-Nitrofuran-2-Yl)-1,3-Thiazol-2-Yl]Amino]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[4-(5-Nitro-2-Furyl)Thiazol-2-Yl]Amino]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[4-(5-Nitro-2-Furyl)-2-Thiazolyl]Amino]-2-Tetrahydropyrancarboxylic Acid; 1-(2-Amino-4-(5-Nitro-2-Furyl)-2-Thiazolyl)-1-Deoxy-Beta-D-Glucopyranuronic Acid
• Molecular Formula: C₁₃H₁₃N₃O₉S
• Molecular Weight: 387.32
• CAS Registry Number: 131579-68-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)NC2=NC(=CS2)C3=CC=C(O3)[N+]([O-])=O
• InChI: 1S/C13H13N3O9S/c17-7-8(18)10(12(20)21)25-11(9(7)19)15-13-14-4(3-26-13)5-1-2-6(24-5)16(22)23/h1-3,7-11,17-19H,(H,14,15)(H,20,21)/t7-,8-,9+,10-,11+/m0/s1
• InChIKey: UNZPLCRPWDUWLK-QUARPLMYSA-N

Properties

• Density: 1.86g/cm³ (Cal.)
• Boiling point: 730.338°C at 760 mmHg (Cal.)
• Flash point: 395.494°C (Cal.)