[(2S,3S,4R)-1,2,4-Trihydroxy-5-Oxopentan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 109796-65-8]

Identification

• Name: [(2S,3S,4R)-1,2,4-Trihydroxy-5-Oxopentan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(1S,2R)-1-[(1S)-1,2-Dihydroxyethyl]-2-Hydroxy-3-Oxo-Propyl] (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(1S,2R)-1-[(1S)-1,2-Dihydroxyethyl]-2-Hydroxy-3-Oxopropyl] Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(1S,2R)-1-[(1S)-1,2-Dihydroxyethyl]-2-Hydroxy-3-Keto-Propyl] Ester
• Molecular Formula: C₁₅H₁₈O₈
• Molecular Weight: 326.30
• CAS Registry Number: 109796-65-8
• SMILES: [C@@H](C=O)(O)[C@H]([C@@H](O)CO)OC(\C=C\C1=CC=C(C(=C1)OC)O)=O
• InChI: 1S/C15H18O8/c1-22-13-6-9(2-4-10(13)18)3-5-14(21)23-15(11(19)7-16)12(20)8-17/h2-7,11-12,15,17-20H,8H2,1H3/b5-3+/t11-,12-,15+/m0/s1
• InChIKey: NKQBCHTWUYOXAU-YPITYPRHSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 639.137°C at 760 mmHg (Cal.)
• Flash point: 237.828°C (Cal.)