1-O-[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]-D-Glucitol

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Formula C16H22O9
IUPAC Name [(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 358.340 g·mol−1
Heat of Formation -1507.5 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 406.1 Å 3
Surface Area 374.91 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl] ester
  • [(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • d-glucitol, 1-((2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
  • d-glucitol, 1-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (e)-
  • glucityl ferulate
  • sibirate
CAS Number(s)
  • 152338-47-1
InChIKey DTJLOZXIIDPIFA-OUOAPTIVSA-N
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