Avenein

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Formula C14H18O8
IUPAC Name 3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzaldehyde
Molecular Mass 314.288 g·mol−1
Heat of Formation -1261.4 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 356.29 Å 3
Surface Area 301.12 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzaldehyde
  • 3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
  • 3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzaldehyde
  • 3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzaldehyde
  • 3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzaldehyde
  • benzaldehyde, 4-(beta-d-glucopyranosyloxy)-3-methoxy-
  • glucovanillin
CAS Number(s)
  • 494-08-6
InChIKey LPRNQMUKVDHCFX-RKQHYHRCSA-N
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