(2S,3S)-3,5,7-Trihydroxy-2-[(2S,3S)-3-(4-Hydroxy-3-Methoxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C22H10O10
IUPAC Name 6-(2-hydroxyethynyl)-2-[3-[3-hydroxy-1-(2-hydroxyethynyl)prop-2-ynyl]-2-(oxomethylene)-1,4-benzodioxin-6-yl]-5-(oxomethylene)tetrahydropyran-3,4-dione
Molecular Mass 434.309 g·mol−1
Heat of Formation -1438.3 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 519.75 Å 3
Surface Area 450.25 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3,5,7-trihydroxy-2-[(2s,3s)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2s,3s)-3,5,7-trihydroxy-2-[(2s,3s)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2s,3s)-3,5,7-trihydroxy-2-[(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromanone
  • (2s,3s)-3,5,7-trihydroxy-2-[(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
InChIKey SEBFKMXJBCUCAI-PQVVKJAFSA-N
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