4-[(1E)-3-(2,4-Dihydroxyphenyl)-3-Oxo-1-Propen-1-Yl]Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H22O9
IUPAC Name (e)-1-(2,4-dihydroxyphenyl)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one
Molecular Mass 418.394 g·mol−1
Heat of Formation -1352.8 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 469.34 Å 3
Surface Area 414.33 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-(2,4-dihydroxyphenyl)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
  • (e)-1-(2,4-dihydroxyphenyl)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one
  • (e)-1-(2,4-dihydroxyphenyl)-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one
  • (e)-1-(2,4-dihydroxyphenyl)-3-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]prop-2-en-1-one
  • 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-d-glucopyranosyloxy)phenyl)-, (2e)-
  • 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(.beta.-d-glucopyranosyloxy)phenyl]-, (2e)-
  • megxp0_001945
CAS Number(s)
  • 5041-81-6
InChIKey YNWXJFQOCHMPCK-LXGDFETPSA-N
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