Methyl (3R,5R)-3,5-Bis{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-1,4-Dihydroxycyclohexanecarboxylate

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Properties Simple | Detailed

Formula C23H12O12
IUPAC Name formaldehyde; [3-hydroxy-1-[2-[5-hydroxy-3-(oxomethylene)penta-1,4-diynyl]-1,3-dioxole-4-carbonyl]prop-2-ynyl] 6-hydroxy-4-(2-hydroxyethynyl)hexa-2,5-diynoate
Molecular Mass 480.334 g·mol−1
Heat of Formation -1856.3 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 591.38 Å 3
Surface Area 519.44 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-3,5-bis[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4-dihydroxy-1-cyclohexanecarboxylic acid methyl ester
  • (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,4-dihydroxy-cyclohexane-1-carboxylic acid methyl ester
  • methyl (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexane-1-carboxylate
  • methyl (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate
InChIKey VEBNYMXKXIIGFX-VOHNXBSUSA-N
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