2-Deoxy-3,4-Bis-O-[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]-L-Threo-Pentaric Acid

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Properties Simple | Detailed

Formula C23H20O10
IUPAC Name (2r,3s)-2,3-bis[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
Molecular Mass 456.399 g·mol−1
Heat of Formation -1523.0 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 513.15 Å 3
Surface Area 466.33 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2,3-bis[(e)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]pentanedioic acid
  • (2r,3s)-2,3-bis[[(e)-3-(4-hydroxyphenyl)acryloyl]oxy]glutaric acid
  • (2r,3s)-2,3-bis[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
InChIKey VJLMRHSHSNLOGC-NOPZTHQXSA-N
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Elements H C O