2-(β-D-Glucopyranosyloxy)Benzyl 3-(β-D-Glucopyranosyloxy)-6-Hydroxy-2-Methoxybenzoate

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Properties Simple | Detailed

Formula C27H34O16
IUPAC Name buta-1,3-diyn-1-ol; molecular oxygen; 6-(oxomethylene)tetrahydropyran-2,3,4,5-tetrone; prop-1-yn-1-ol
Molecular Mass 614.549 g·mol−1
Heat of Formation -2680.7 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 675.63 Å 3
Surface Area 552.85 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-hydroxybenzyl-3-methoxybenzoate 2',4-diglucoside
  • 6-hydroxy-2-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzyl] ester
  • 6-hydroxy-2-methoxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzoic acid [2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester
  • [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 6-hydroxy-2-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzoate
  • [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 6-hydroxy-2-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
  • [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl 6-hydroxy-2-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate
  • beta-d-glucopyranoside, 2-(((4-(beta-d-glucopyranosyloxy)-2-hydroxy-3-methoxybenzoyl)oxy)methyl)phenyl-
  • leiocarposide
CAS Number(s)
  • 71953-77-0
InChIKey WQQJTVODGXZMHF-WRXRYXBBSA-N
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