3-Hydroxy-2-[(2S)-5-Hydroxy-7-Methoxy-4-Oxo-3,4-Dihydro-2H-Chromen-2-Yl]Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C22H22O11
IUPAC Name methanone; (1e)-4-(oxomethylene)-1-[6-oxo-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexa-2,4-dien-1-ylidene]oct-7-yne-3,5-dione
Molecular Mass 462.403 g·mol−1
Heat of Formation -1821.0 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 504.49 Å 3
Surface Area 427.73 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-hydroxy-2-[2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-7-methoxy-chroman-4-one
  • (2s)-5-hydroxy-2-[2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxychroman-4-one
  • (2s)-5-hydroxy-2-[2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-7-methoxy-chroman-4-one
  • (2s)-5-hydroxy-2-[2-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-7-methoxy-chroman-4-one
  • (2s)-5-hydroxy-2-[2-hydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-7-methoxy-4-chromanone
  • 2',5,6'-trihydroxy-7-methoxyflavanone-2'-o-beta-glucopyranoside
  • 4h-1-benzopyran-4-one, 2-(2-(beta-d-glucopyranosyloxy)-6-hydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (s)-
CAS Number(s)
  • 123914-35-2
InChIKey KOBUGDLTCAJTND-DOARKGTESA-N
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