Puerarin

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Properties Simple | Detailed

Formula C21H20O9
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 416.378 g·mol−1
Heat of Formation -1371.2 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 450.89 Å 3
Surface Area 386.35 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 8-(beta-d-glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4h-1-benzopyran-4-one
  • npi-31g
CAS Number(s)
  • 3681-99-0
InChIKey HKEAFJYKMMKDOR-VPRICQMDSA-N
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