2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-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 C26H28O15
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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 580.492 g·mol−1
Heat of Formation -2567.3 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 600.07 Å 3
Surface Area 466.96 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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
  • carlinoside
CAS Number(s)
  • 59952-97-5
InChIKey XBGYTZHKGMCEGE-VYUBKLCTSA-N
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