(2R)-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C21H20O12
IUPAC Name (3e)-4-[(2r)-7-[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dioxo-2,3-dihydrochromen-4a-id-2-yl]-6-oxo-hexa-3,5-dien-1-yn-1-olate
Molecular Mass 464.376 g·mol−1
Heat of Formation -1949.3 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 484.98 Å 3
Surface Area 422.87 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[(2r)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2r)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2r)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2r)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochroman-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-chromanyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • beta-d-glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-2,4-dihydro-5-hydroxy-4-oxo-2h-1-benzopyran-7-yl, (r)-
  • eriodictyol 7-glucuronide
  • eriodictyol 7-o-beta-d-glucuronide
CAS Number(s)
  • 133360-47-1
InChIKey YSORAXGDTRAEMV-ZJIWIORTSA-N
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