(1S)-1,5-Anhydro-1-[3-(3,4-Dihydroxyphenyl)-7-Hydroxy-4-Oxo-4H-Chromen-8-Yl]-D-Glucitol

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Properties Simple | Detailed

Formula C21H20O10
IUPAC Name 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 432.378 g·mol−1
Heat of Formation -1534.7 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 459.32 Å 3
Surface Area 391.17 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 3-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-7-hydroxy-4h-benzopyran-4-one
  • 4h-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-8-beta-d-glucopyranosyl-7-hydroxy-
  • pueraria glycoside
CAS Number(s)
  • 117060-54-5
InChIKey GARZMRVWLORUSR-VPRICQMDSA-N
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