2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-Trihydroxycyclohex- 2-Enone
[CAS# 62532-49-4]

Identification

• Name: 2-Crotonyloxymethyl-(4R,5R,6R)-4,5,6-Trihydroxycyclohex- 2-Enone
• Synonyms: (E)-But-2-Enoic Acid [(3R,4R,5R)-3,4,5-Trihydroxy-6-Oxo-1-Cyclohexenyl]Methyl Ester; (E)-But-2-Enoic Acid [(3R,4R,5R)-3,4,5-Trihydroxy-6-Keto-1-Cyclohexenyl]Methyl Ester; Glyoxalase-I Inhibitor
• Molecular Formula: C₁₁H₁₄O₆
• Molecular Weight: 242.23
• CAS Registry Number: 62532-49-4
• SMILES: [C@@H]1(C(C(=C[C@H]([C@H]1O)O)COC(/C=C/C)=O)=O)O
• InChI: 1S/C11H14O6/c1-2-3-8(13)17-5-6-4-7(12)10(15)11(16)9(6)14/h2-4,7,10-12,15-16H,5H2,1H3/b3-2+/t7-,10-,11+/m1/s1
• InChIKey: PSJQCAMBOYBQEU-KHSNLZPESA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 420.336°C at 760 mmHg (Cal.)
• Flash point: 163.265°C (Cal.)