[(3R,4R,5S)-3,4,5-Trihydroxy-6-Oxo-1-Cyclohexen-1-Yl]Methyl Acetate
[CAS# 473791-23-0]

Identification

• Name: [(3R,4R,5S)-3,4,5-Trihydroxy-6-Oxo-1-Cyclohexen-1-Yl]Methyl Acetate
• Synonyms: ((3R,4R,5S)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-yl)methyl acetate
• Molecular Formula: C₉H₁₂O₆
• Molecular Weight: 216.19
• CAS Registry Number: 473791-23-0
• SMILES: O=C1\C(=C/[C@@H](O)[C@@H](O)[C@@H]1O)COC(=O)C
• InChI: 1S/C9H12O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6,8-9,11,13-14H,3H2,1H3/t6-,8-,9-/m1/s1
• InChIKey: QNDBYGBRMNCSJX-FTLITQJKSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 397.747°C at 760 mmHg (Cal.)
• Flash point: 160.112°C (Cal.)
• Refractive index: 1.585 (Cal.)