6-O-(D-Apiofuranosyl)-1,6,8-Trihydroxy-3-Methylanthraquinone

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Properties Simple | Detailed

Formula C20H18O9
IUPAC Name 3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione
Molecular Mass 402.352 g·mol−1
Heat of Formation -1379.9 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 428.17 Å 3
Surface Area 375.71 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione
  • 3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
  • 3-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione
  • 3-[(2s,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-9,10-anthraquinone
  • 3-[[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-1,8-dihydroxy-6-methylanthracene-9,10-dione
  • frangulin b
CAS Number(s)
  • 14101-04-3
InChIKey AEQMIFRODRFTJF-SLFFLAALSA-N
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