(2R,3R)-5,7-Dihydroxy-4-Oxo-2-Phenyl-3,4-Dihydro-2H-Chromen-3-Yl (2S)-2-Methylbutanoate

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name [(2r,3r)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-3-yl] (2s)-2-methylbutanoate
Molecular Mass 356.369 g·mol−1
Heat of Formation -951.3 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 411.82 Å 3
Surface Area 349.31 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2h-chromen-3-yl rel-(2s)-2-methylbutanoate
  • (2s)-2-methylbutanoic acid [(2r,3r)-5,7-dihydroxy-4-oxo-2-phenyl-3-chromanyl] ester
  • (2s)-2-methylbutyric acid [(2r,3r)-5,7-dihydroxy-4-keto-2-phenyl-chroman-3-yl] ester
  • 2-methyl-butyric acid 5,7-dihydroxy-4-oxo-2-phenyl-chroman-3-yl ester
  • 3-o-[(s)-2-methylbutyroyl]pinobanksin
  • [(2r,3r)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-3-yl] (2s)-2-methylbutanoate
  • [(2r,3r)-5,7-dihydroxy-4-oxo-2-phenylchroman-3-yl] (2s)-2-methylbutanoate
  • butanoic acid, 2-methyl-, (2r,3r)-3,4-dihydro-5,7-dihydroxy-4-oxo-2-phenyl-2h-1-benzopyran-3-yl ester, (2s)-
InChIKey ZDDSHWOLTYMTJG-SYURPWHHSA-N
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Elements H C O