Lapathoside D

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Properties Simple | Detailed

Formula C17H10O15
IUPAC Name 2-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]oxy-6-(oxomethylene)tetrahydropyran-3,4,5-trione; formaldehyde; oxiran-2-ylidenemethanone
Molecular Mass 454.252 g·mol−1
Heat of Formation -2419.5 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 709.71 Å 3
Surface Area 579.24 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2s,3s,4r,5r)-4-hydroxy-5-[[(e)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-2-methylol-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2s,3s,4r,5r)-4-hydroxy-2-(hydroxymethyl)-5-[[(e)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydrofuranyl] ester
  • [(2s,3s,4r,5r)-4-hydroxy-2-(hydroxymethyl)-5-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2s,3s,4r,5r)-4-hydroxy-2-(hydroxymethyl)-5-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • [(2s,3s,4r,5r)-4-hydroxy-2-(hydroxymethyl)-5-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
InChIKey BZSLWPMWZXMHEW-JSCCKXNGSA-N
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