2-[(3-O-Benzoyl-β-D-Allopyranosyl)Oxy]-5-Hydroxybenzyl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H26O10
IUPAC Name [2-[(2s,3r,4r,5r,6r)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-phenyl]methyl benzoate
Molecular Mass 510.489 g·mol−1
Heat of Formation -1463.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 578.13 Å 3
Surface Area 490.12 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzoylmethyl-5-hydroxyphenyl-beta-d-(3'-benzoyl) gluco-pyranoside
  • 2-[(3-o-benzoylhexopyranosyl)oxy]-5-hydroxybenzyl benzoate
  • [(2r,3r,4r,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-hydroxy-2-(phenylcarbonyloxymethyl)phenoxy]oxan-4-yl] benzoate
  • [(2s,3r,4r,5r,6r)-2-[2-(benzoyloxymethyl)-4-hydroxy-phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate
  • benzoic acid [(2r,3r,4r,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-hydroxy-2-[(oxo-phenylmethoxy)methyl]phenoxy]-4-tetrahydropyranyl] ester
  • benzoic acid [(2s,3r,4r,5r,6r)-2-[2-(benzoyloxymethyl)-4-hydroxy-phenoxy]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester
  • benzoylsalireposide
  • hexopyranoside, 2-[(benzoyloxy)methyl]-4-hydroxyphenyl, 3-benzoate
InChIKey FUEPBIYTRMHZFE-XMPCBSOPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O