4-Heptyl-2-Oxo-2H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C22H30O8
IUPAC Name 4-heptyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 422.469 g·mol−1
Heat of Formation -1394.1 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 507.18 Å 3
Surface Area 446.03 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(beta-d-glucopyranosyloxy)-4-heptyl-
  • 4-heptyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 4-heptyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 4-heptyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 4-heptyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 4-heptyl-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
  • 4-heptylumbelliferyl-beta-glucoside
  • 7-(beta-d-glucopyranosyloxy)-4-heptyl-2h-1-benzopyran-2-one
  • c7-uglc
CAS Number(s)
  • 100443-43-4
InChIKey MDSVWUIXWSZDSC-MIUGBVLSSA-N
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