(2S,3S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-Methyl-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -749.2 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 318.87 Å 3
Surface Area 286.16 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4-chromanone
  • (2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
  • (2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchroman-4-one
  • 2(s)-3(s)-3-methyl-4',5,7-trihydroxyflavanone
  • 4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-, (2s-cis)-
  • be 14348b
  • be 14348c
  • ws 7528
  • ws-7528
CAS Number(s)
  • 132147-69-4
InChIKey GRHSSRUEUOYZIV-BCTVWOGZSA-N
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