Melilotoside
[CAS# 618-67-7]

Identification

• Name: Melilotoside
• Synonyms: (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Prop-2-Enoic Acid; (E)-3-[2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enoic Acid; (E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Acrylic Acid
• Molecular Formula: C₁₅H₁₈O₈
• Molecular Weight: 326.30
• CAS Registry Number: 618-67-7
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=C(/C=C/C(=O)O)C=CC=C2
• InChI: 1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1
• InChIKey: GVRIYIMNJGULCZ-ZMKUSUEASA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 615.057°C at 760 mmHg (Cal.)
• Flash point: 230.092°C (Cal.)