Astringin

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Formula C20H22O9
IUPAC Name (2s,3r,4s,5s,6r)-2-[3-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 406.383 g·mol−1
Heat of Formation -1402.7 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 453.25 Å 3
Surface Area 388.72 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[3-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[3-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Number(s)
  • 29884-49-9
InChIKey PERPNFLGJXUDDW-CUYWLFDKSA-N
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