5-Methyl-2-Oxo-2H-Chromen-4-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C16H18O8
IUPAC Name 5-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 338.309 g·mol−1
Heat of Formation -1298.9 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 372.18 Å 3
Surface Area 320.25 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 4-(beta-d-glucopyranosyloxy)-5-methyl-
  • 5-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 5-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 5-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 5-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 5-methyl-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
CAS Number(s)
  • 76474-54-9
InChIKey DXBGTODWNFZHCD-LMXXTMHSSA-N
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