Rhodionin

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Properties Simple | Detailed

Formula C21H20O11
IUPAC Name 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 448.377 g·mol−1
Heat of Formation -1714.1 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 471.94 Å 3
Surface Area 403.41 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chromen-4-one
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromone
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-chromenone
InChIKey CIAXXTSXVCLEJK-JOEVVYSCSA-N
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