5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-Trihydroxybenzoyl)Oxy]Methyl}-α-D-Ribofuranose

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Formula C20H20O14
IUPAC Name [(2r,3r,4r,5s)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 484.364 g·mol−1
Heat of Formation -2342.2 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 501.43 Å 3
Surface Area 369.19 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4r,5r)-2,3,4-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-3-yl]methyl ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4r,5r)-2,3,4-trihydroxy-5-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-3-tetrahydrofuranyl]methyl ester
  • [(2s,3r,4r,5r)-2,3,4-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2s,3r,4r,5r)-2,3,4-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-3-yl]methyl 3,4,5-trihydroxybenzoate
  • [(2s,3r,4r,5r)-2,3,4-trihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
InChIKey FEPAFOYQTIEEIS-LONLNUGOSA-N
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