Methyl (2E)-3-[3-(β-D-Glucopyranosyloxy)-5-Methoxyphenyl]Acrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H22O9
IUPAC Name 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
Molecular Mass 370.351 g·mol−1
Heat of Formation -1459.8 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 426.8 Å 3
Surface Area 371.76 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (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
  • (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
  • 2-propenoic acid, 3-(3-(beta-d-glucopyranosyloxy)-5-methoxyphenyl)-, methyl ester, (e)-
  • linusitamarin
  • methyl (e)-3-[3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]prop-2-enoate
  • methyl (e)-3-[3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
  • 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
CAS Number(s)
  • 152574-10-2
InChIKey USFDIQKRDRIDPN-CTYIEIGBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O