5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]-8-[(2S,3R,4S,5S)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]-4H-Chromen-4-One (Non-Preferred Name)

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Properties Simple | Detailed

Formula C26H28O14
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one
Molecular Mass 564.492 g·mol−1
Heat of Formation -2373.9 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 597.58 Å 3
Surface Area 465.78 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydropyranyl]-4-chromenone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]chromone
  • schaftoside
CAS Number(s)
  • 51938-32-0
InChIKey MMDUKUSNQNWVET-VYUBKLCTSA-N
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