5-Hydroxy-8-Methoxy-4-Oxo-2-Phenyl-4H-Chromen-7-Yl β-D-Glucopyranosiduronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21O11+
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 461.396 g·mol−1
Heat of Formation -1191.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 485.43 Å 3
Surface Area 412.97 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-8-methoxy-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-8-methoxy-4-oxo-2-phenyl-7-chromenyl)oxy]-2-tetrahydropyrancarboxylic acid
  • acon1_000851
  • megxp0_000537
  • oroxindin
  • wogonoside
CAS Number(s)
  • 51059-44-0
InChIKey LNOHXHDWGCMVCO-NTKSAMNMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O