(E)-3-(4-Hydroxyphenyl)Propenoic Acid (2S)-3-(beta-D-Glucopyranosyloxy)-2-Hydroxypropyl Ester
[CAS# 114420-66-5]

Identification

• Name: (E)-3-(4-Hydroxyphenyl)Propenoic Acid (2S)-3-(beta-D-Glucopyranosyloxy)-2-Hydroxypropyl Ester
• Synonyms: [(2S)-2-Hydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxypropyl] 3-(4-Hydroxyphenyl)Prop-2-Enoate; [(2S)-2-Hydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Propyl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; [(2S)-2-Hydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Propyl] 3-(4-Hydroxyphenyl)Prop-2-Enoate
• Molecular Formula: C₁₈H₂₄O₁₀
• Molecular Weight: 400.38
• CAS Registry Number: 114420-66-5
• SMILES: [C@@H](COC1C(C(C(O)C(CO)O1)O)O)(O)COC(=O)/C=C/C2=CC=C(C=C2)O
• InChI: 1S/C18H24O10/c19-7-13-15(23)16(24)17(25)18(28-13)27-9-12(21)8-26-14(22)6-3-10-1-4-11(20)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13?,15?,16?,17?,18?/m1/s1
• InChIKey: PADHSFRQMFRWLS-MUWVXHEGSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 729.096°C at 760 mmHg (Cal.)
• Flash point: 260.746°C (Cal.)