Benzyl 2-(β-Glucopyranosyloxy)-6-Hydroxybenzoate

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Properties Simple | Detailed

Formula C20H22O9
IUPAC Name benzyl 2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate
Molecular Mass 406.383 g·mol−1
Heat of Formation -1436.2 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 455.68 Å 3
Surface Area 339.29 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzoic acid benzyl ester
  • 2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid benzyl ester
  • 2-hydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzoic acid phenylmethyl ester
  • benzoic acid, 2-(beta-d-glucopyranosyloxy)-6-hydroxy-, phenylmethyl ester
  • benzyl 2-o-beta-d-glucopyranosyl-2,6-dihydroxybenzoate
  • phenylmethyl 2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzoate
  • phenylmethyl 2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
  • phenylmethyl 2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate
InChIKey GTFARABJCNHOHO-UVNCQSPWSA-N
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