4-Hydroxyphenyl 6-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H20O11
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 424.356 g·mol−1
Heat of Formation -1756.9 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 457.03 Å 3
Surface Area 368.74 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)-2-tetrahydropyranyl]methyl ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl ester
  • 6-o-galloyl arbutin
  • 6-o-galloylarbutin
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
  • beta-d-glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
CAS Number(s)
  • 5991-00-4
InChIKey KPFBMNKCSZQESS-WIMVFMHDSA-N
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