5-Hydroxy-3-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-Yl 6-O-(Carboxyacetyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C24H22O13
IUPAC Name 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid
Molecular Mass 518.424 g·mol−1
Heat of Formation -2051.4 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 548.92 Å 3
Surface Area 431.15 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3-keto-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propionic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-2-yl]methoxy]propanoic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
  • 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-2-tetrahydropyranyl]methoxy]propanoic acid
  • acon0_001356
  • malonylgenistin
  • megxp0_000226
InChIKey FRAUJUKWSKMNJY-RSEYPYQYSA-N
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