5-[(2S)-5,7-Dihydroxy-4-Oxo-3,4-Dihydro-2H-Chromen-2-Yl]-2,3-Dihydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H6O12
IUPAC Name 2-[[6-[6-(2-hydroxyethynyl)-4-oxo-5-(oxomethylene)pyran-2-yl]-3,4-dioxo-2-bicyclo[3.1.0]hex-5-enyl]oxy]-6-(oxomethylene)tetrahydropyran-3,4,5-trione
Molecular Mass 438.254 g·mol−1
Heat of Formation -1984.8 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 495.76 Å 3
Surface Area 423.78 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxychroman-4-one
  • (2s)-2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-[3,4-dihydroxy-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-5,7-dihydroxy-4-chromanone
  • 2'-o-beta-glucopyranosyl-5,7,4',5'-tetrahydroxyflavanone
  • 4h-1-benzopyran-4-one, 2-(3-(beta-d-glucopyranosyloxy)-4,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (s)-
CAS Number(s)
  • 78708-33-5
InChIKey SNFFBROYEDWRGB-NHXQFOETSA-N
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