Methyl (E)-3-[3-Methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Prop-2-Enoate
[CAS# 152574-10-2]

Identification

• Name: Methyl (E)-3-[3-Methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Prop-2-Enoate
• Synonyms: Methyl (E)-3-[3-Methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-Enoate; (E)-3-[3-Methoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enoic Acid Methyl Ester; (E)-3-[3-Methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]Acrylic Acid Methyl Ester
• Molecular Formula: C₁₇H₂₂O₉
• Molecular Weight: 370.36
• CAS Registry Number: 152574-10-2
• SMILES: [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC2=CC(=CC(=C2)OC)\C=C\C(=O)OC
• InChI: 1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/m1/s1
• InChIKey: USFDIQKRDRIDPN-CTYIEIGBSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 614.462°C at 760 mmHg (Cal.)
• Flash point: 221.859°C (Cal.)