Sinapoyl Malate

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Properties Simple | Detailed

Formula C15H16O9
IUPAC Name (2s)-2-[(e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxybutanedioic acid
Molecular Mass 340.282 g·mol−1
Heat of Formation -1452.7 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 372.31 Å 3
Surface Area 349.56 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]oxysuccinic acid
  • (2s)-2-[(e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxybutanedioic acid
  • (2s)-2-[(e)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid
  • (2s)-2-[(e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxybutanedioic acid
  • sinapoyl-(s)-malate
InChIKey DUDGAPSRYCQPBG-UFFNRZRYSA-N
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