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

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Properties Simple | Detailed

Formula C16H18O9
IUPAC Name 7-hydroxy-2-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 354.309 g·mol−1
Heat of Formation -1463.6 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 383.04 Å 3
Surface Area 335.19 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-5,7-dihydroxychromone 5-o-beta-glycopyranoside
  • 4h-1-benzopyran-4-one, 5-(beta-d-glucopyranosyloxy)-7-hydroxy-2-methyl-
  • 5-(beta-d-glucopyranosyloxy)-7-hydroxy-2-methyl-4h-1-benzopyran-4-one
  • 7-hydroxy-2-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 7-hydroxy-2-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 7-hydroxy-2-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 7-hydroxy-2-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 7-hydroxy-2-methyl-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • schumanniofioside a
CAS Number(s)
  • 128396-15-6
InChIKey MSNMNLUHZBFJDF-YMILTQATSA-N
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