[(3R,4R,5R,6R)-3,4,5,6-Tetrahydroxy-1-Cyclohexen-1-Yl]Methyl Acetate
[CAS# 400867-98-3]

Identification

• Name: [(3R,4R,5R,6R)-3,4,5,6-Tetrahydroxy-1-Cyclohexen-1-Yl]Methyl Acetate
• Synonyms: ((3R,4R,5R,6R)-3,4,5,6-tetrahydroxycyclohex-1-en-1-yl)methyl acetate
• Molecular Formula: C₉H₁₄O₆
• Molecular Weight: 218.20
• CAS Registry Number: 400867-98-3
• SMILES: CC(=O)OCC1=C[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O
• InChI: 1S/C9H14O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6-9,11-14H,3H2,1H3/t6-,7-,8-,9-/m1/s1
• InChIKey: QBVXDOMUJIZMRX-FNCVBFRFSA-N

Properties

• Density: 1.523g/cm³ (Cal.)
• Boiling point: 361.451°C at 760 mmHg (Cal.)
• Flash point: 142.329°C (Cal.)
• Refractive index: 1.605 (Cal.)