4H-1-Benzopyran-4-One, 6-β-D-Glucopyranosyl-2,3-Dihydro-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-, (S)-

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Properties Simple | Detailed

Formula C21H22O10
IUPAC Name (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chroman-4-one
Molecular Mass 434.393 g·mol−1
Heat of Formation -1659.0 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 470.27 Å 3
Surface Area 402.21 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromanone
  • (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chroman-4-one
  • (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chroman-4-one
  • (2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chroman-4-one
  • acon1_001147
  • megxp0_001171
  • naringenin-6-c-glucoside
CAS Number(s)
  • 3682-03-9
InChIKey QKPKGDDHOGIEOO-JVVVWQBKSA-N
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