(3S)-1,7-Bis(3,4-Dihydroxyphenyl)-5-Oxo-3-Heptanyl β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C24H30O10
IUPAC Name (5s)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-heptan-3-one
Molecular Mass 478.489 g·mol−1
Heat of Formation -1733.2 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 556.0 Å 3
Surface Area 403.19 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-heptan-3-one
  • (5s)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
  • (5s)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-heptan-3-one
  • (5s)-1,7-bis(3,4-dihydroxyphenyl)-5-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]heptan-3-one
  • megxp0_001484
InChIKey AQRNEKDRSXYJIN-IRFILORWSA-N
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