2-Hydroxy-3-Methoxy-5-(3,5,7-Trihydroxy-4-Oxo-4H-Chromen-2-Yl)Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C22H22O13
IUPAC Name 2-[4-hydroxy-3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-6-(oxomethylene)cyclopenta[b]pyran-2-ide-3,4,5-trione
Molecular Mass 494.402 g·mol−1
Heat of Formation -2049.1 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 521.56 Å 3
Surface Area 432.69 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]chromen-4-one
  • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one
  • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]chromone
  • 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
  • 4h-1-benzopyran-4-one, 2-(3-(beta-d-glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-
CAS Number(s)
  • 123442-26-2
InChIKey RUJHFBFKZCYVLZ-ROSPJSJWSA-N
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