Daphnin

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Properties Simple | Detailed

Formula C15H16O9
IUPAC Name 8-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 340.282 g·mol−1
Heat of Formation -1375.5 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 367.3 Å 3
Surface Area 318.87 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(beta-d-glucopyranosyloxy)-8-hydroxy-
  • 7-(beta-d-glucopyranosyloxy)-8-hydroxy-2h-1-benzopyran-2-one
  • 7-(beta-d-glucopyranosyloxy)-8-hydroxy-2h-chromen-2-one
  • 7-(beta-d-glucopyranosyloxy)-8-hydroxycoumarin
  • 7-beta-d-glucopyranosyloxy-8-hydroxy-2h-1-benzopyran-2-one
  • 8-hydroxy-2-oxo-2h-chromen-7-yl beta-d-glucopyranoside
  • 8-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 8-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 8-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 8-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 8-hydroxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
CAS Number(s)
  • 486-55-5
InChIKey HOIXTKAYCMNVMY-PVOAASPHSA-N
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