(2R,3S)-2-(3,4-Dihydroxybenzyl)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-2-Hydroxysuccinic Acid

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Properties Simple | Detailed

Formula C20H18O11
IUPAC Name (2r,3s)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-butanedioic acid
Molecular Mass 434.350 g·mol−1
Heat of Formation -1761.8 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 467.48 Å 3
Surface Area 401.59 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-(3,4-dihydroxybenzyl)-3-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-2-hydroxy-succinic acid
  • (2r,3s)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2-hydroxybutanedioic acid
  • (2r,3s)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-butanedioic acid
  • (2r,3s)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
  • butanedioic acid, 2-((3,4-dihydroxyphenyl)methyl)-3-(((2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-2-hydroxy-, (2r,3s)-
CAS Number(s)
  • 50982-40-6
InChIKey ACYXDIZTQDLTCB-UVIKLTKHSA-N
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