Methyl (3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-1-cyclohexene-1-carboxylate
[CAS# 811443-38-6]

Identification

• Name: Methyl (3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-1-cyclohexene-1-carboxylate
• Synonyms: (3S,4S,5S,6S)-methyl 3,4,5-trihydroxy-6-methoxycyclohex-1-enecarboxylate
• Molecular Formula: C₉H₁₄O₆
• Molecular Weight: 218.20
• CAS Registry Number: 811443-38-6
• SMILES: O=C(OC)/C1=C/[C@H](O)[C@H](O)[C@H](O)[C@H]1OC
• InChI: 1S/C9H14O6/c1-14-8-4(9(13)15-2)3-5(10)6(11)7(8)12/h3,5-8,10-12H,1-2H3/t5-,6-,7-,8-/m0/s1
• InChIKey: VUQJXZNNVAWIKZ-XAMCCFCMSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 348.783°C at 760 mmHg (Cal.)
• Flash point: 136.457°C (Cal.)
• Refractive index: 1.543 (Cal.)