1,2,3,4,6-Pentakis-O-(3,4,5-Trihydroxybenzoyl)-α-L-Gulopyranose

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Properties Simple | Detailed

Formula C41H32O26
IUPAC Name [(2s,3r,4s,5s,6s)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 940.677 g·mol−1
Heat of Formation -4118.5 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 966.33 Å 3
Surface Area 700.55 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2s,3s,4s,5r,6s)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3s,4s,5r,6s)-2,3,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester
  • [(2s,3s,4s,5r,6s)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3s,4s,5r,6s)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3s,4s,5r,6s)-2,3,5-tris[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate
InChIKey QJYNZEYHSMRWBK-CGKDMBANSA-N
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