(1S,3R,4R,5E)-1,3,4-Trihydroxy-5-(Hydroxyimino)-Cyclohexanecarboxylic Acid
[CAS# 494211-80-2]

Identification

• Name: (1S,3R,4R,5E)-1,3,4-Trihydroxy-5-(Hydroxyimino)-Cyclohexanecarboxylic Acid
• Synonyms: (1S,3R,4R,5E)-1,3,4-Trihydroxy-5-Hydroxyimino-Cyclohexane-1-Carboxylic Acid; (1S,3R,4R,5E)-1,3,4-Trihydroxy-5-Hydroxyimino-1-Cyclohexanecarboxylic Acid; (1S,3E,4R,5R)-3-Hydroximino-1,4,5-Trihydroxy-Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₇H₁₁NO₆
• Molecular Weight: 205.17
• CAS Registry Number: 494211-80-2
• SMILES: [C@@]1(O)(CC(=N/O)\[C@@H](O)[C@H](O)C1)C(=O)O
• InChI: 1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1
• InChIKey: WASIBXJFRXJWAR-GKQOBJDDSA-N

Properties

• Density: 1.856g/cm³ (Cal.)
• Boiling point: 541.936°C at 760 mmHg (Cal.)
• Flash point: 281.553°C (Cal.)