(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanal
[CAS# 108708-22-1]

Identification

• Name: (2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Hexanal
• Synonyms: (2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-[(7-Nitrobenzofurazan-4-Yl)Amino]Hexanal; Nbdg; Nbd-Glucosamine
• Molecular Formula: C₁₂H₁₄N₄O₈
• Molecular Weight: 342.26
• CAS Registry Number: 108708-22-1
• SMILES: [C@H](O)([C@@H](O)[C@H](O)[C@@H](O)C=O)CNC1=CC=C([N+]([O-])=O)C2=NON=C12
• InChI: 1S/C12H14N4O8/c17-4-8(19)12(21)11(20)7(18)3-13-5-1-2-6(16(22)23)10-9(5)14-24-15-10/h1-2,4,7-8,11-13,18-21H,3H2/t7-,8+,11-,12-/m1/s1
• InChIKey: DEPMSUUWSGUYKQ-IWXIMVSXSA-N

Properties

• Density: 1.751g/cm³ (Cal.)
• Boiling point: 729.492°C at 760 mmHg (Cal.)
• Flash point: 394.983°C (Cal.)