2-(β-D-Glucopyranosyloxy)-5-Hydroxybenzyl 2-Hydroxy-6-Methoxybenzoate

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Properties Simple | Detailed

Formula C21H24O11
IUPAC Name [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl 2-hydroxy-6-methoxy-benzoate
Molecular Mass 452.409 g·mol−1
Heat of Formation -1794.8 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 508.2 Å 3
Surface Area 375.37 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-beta-d-glucopyranosyloxy-5-hydroxybenzyl-2'-methoxy-6'-hydroxybenzoate
  • 2-hydroxy-6-methoxy-benzoic acid [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester
  • 2-hydroxy-6-methoxybenzoic acid [5-hydroxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester
  • [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl 2-hydroxy-6-methoxy-benzoate
  • [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-methoxybenzoate
  • [5-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl 2-hydroxy-6-methoxy-benzoate
  • beta-d-glucopyranoside, 4-hydroxy-2-(((2-hydroxy-6-methoxybenzoyl)oxy)methyl)phenyl
  • curculigoside b
CAS Number(s)
  • 143601-09-6
InChIKey DIZYHORWVKHYCQ-PEVLUNPASA-N
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