Polygalaxanthone Iii

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Properties Simple | Detailed

Formula C25H28O15
IUPAC Name 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-1,3,6-trihydroxy-7-methoxy-xanthen-9-one
Molecular Mass 568.481 g·mol−1
Heat of Formation -2549.4 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 587.96 Å 3
Surface Area 475.8 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4,5-trihydroxy-2-tetrahydropyranyl]-1,3,6-trihydroxy-7-methoxy-9-xanthenone
  • 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]-1,3,6-trihydroxy-7-methoxy-xanthen-9-one
  • 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
  • 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-1,3,6-trihydroxy-7-methoxy-xanthen-9-one
  • 2-[(2s,3r,4r,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]-1,3,6-trihydroxy-7-methoxy-xanthone
InChIKey LLJUCXMVRPAONX-AYATVRNWSA-N
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