3",4"-Diacetylafezelin

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Properties Simple | Detailed

Formula C25H25O12+
IUPAC Name [(2s,3s,4s,5r,6s)-4-acetoxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-5-hydroxy-2-methyl-tetrahydropyran-3-yl] acetate
Molecular Mass 517.459 g·mol−1
Heat of Formation -1993.5 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 549.66 Å 3
Surface Area 414.25 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5s,6s)-5-acetoxy-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3-hydroxy-6-methyl-tetrahydropyran-4-yl] acetate
  • [(2s,3r,4s,5s,6s)-5-acetyloxy-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3-hydroxy-6-methyl-oxan-4-yl] ethanoate
  • acetic acid [(2s,3r,4s,5s,6s)-5-acetoxy-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-3-hydroxy-6-methyl-tetrahydropyran-4-yl] ester
  • acetic acid [(2s,3r,4s,5s,6s)-5-acetoxy-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromenyl]oxy]-3-hydroxy-6-methyl-4-tetrahydropyranyl] ester
InChIKey SXOZSDJHGMAEGZ-IGKKHSBFSA-N
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