(3R,5R)-3,5-Bis{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-4-Hydroxy-1-[2-Methoxy(Oxo)Acetoxy]Cyclohexanecarboxylic Acid

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Properties Simple | Detailed

Formula C19H10O15
IUPAC Name 4-(dioxiran-3-yl)buta-1,3-diyn-1-ol; formaldehyde; molecular oxygen; 5,7,9,17,18-pentaoxabicyclo[13.2.1]octadec-15-en-2,11-diyne-8,10,13,14-tetrone
Molecular Mass 478.274 g·mol−1
Heat of Formation -2360.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 656.11 Å 3
Surface Area 540.46 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-3,5-bis[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-4-hydroxy-1-(2-methoxy-1,2-dioxoethoxy)-1-cyclohexanecarboxylic acid
  • (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-4-hydroxy-1-(2-keto-2-methoxy-acetyl)oxy-cyclohexane-1-carboxylic acid
  • (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-1-(2-methoxy-2-oxo-acetyl)oxy-cyclohexane-1-carboxylic acid
  • (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-1-(2-methoxy-2-oxo-ethanoyl)oxy-cyclohexane-1-carboxylic acid
  • (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-1-(2-methoxy-2-oxoacetyl)oxycyclohexane-1-carboxylic acid
  • 1-methoxyoxalyl-3,5-dicaffeoylquinic acid
  • 1-mo-3,5-dcqa
InChIKey FDCWKQRNKFBQAS-CAKQFAHCSA-N
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