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

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Properties Simple | Detailed

Formula C21H22O10
IUPAC Name (2s)-2-(3,4-dihydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
Molecular Mass 434.393 g·mol−1
Heat of Formation -1586.1 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 473.84 Å 3
Surface Area 407.05 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(3,4-dihydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one
  • (2s)-2-(3,4-dihydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one
  • (2s)-2-(3,4-dihydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2s)-2-(3,4-dihydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2s)-2-(3,4-dihydroxyphenyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone
  • 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-2,3-dihydro-4h-1-benzopyran-4-one
CAS Number(s)
  • 30382-18-4
InChIKey AWENDZQUFCJISN-ZRWXNEIDSA-N
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