(1S)-1,5-Anhydro-1-(2-{4-[(6-Deoxy-α-L-Mannopyranosyl)Oxy]Phenyl}-5,7-Dihydroxy-4-Oxo-4H-Chromen-8-Yl)-D-Glucitol

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Properties Simple | Detailed

Formula C27H31O14+
IUPAC Name 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 579.527 g·mol−1
Heat of Formation -2350.5 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 623.78 Å 3
Surface Area 489.65 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-((6-deoxy-alpha-l-mannopyranosyl)oxy)phenyl)-8-beta-d-glucopyranosyl-5,7-dihydroxy-4h-benzopyran-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-2-[4-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
  • 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromone
  • vitexin rhamnoside
CAS Number(s)
  • 32426-34-9
InChIKey ZIIBNXKQZAUBRD-VVZHCWMZSA-N
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