Isoorientin

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Formula C21H21O11+
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 449.385 g·mol−1
Heat of Formation -1794.6 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 468.59 Å 3
Surface Area 402.64 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-6-yl]-d-glucitol
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-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]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]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]chromone
  • 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5,7-dihydroxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5,7-dihydroxy-
  • homoorientin
CAS Number(s)
  • 4261-42-1
InChIKey ODBRNZZJSYPIDI-VJXVFPJBSA-N
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