4H-1-Benzopyran-4-One, 6-β-D-Galactopyranosyl-5,7,8-Trihydroxy-2-(4-Hydroxyphenyl)-

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20O11
IUPAC Name 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 448.377 g·mol−1
Heat of Formation -1754.4 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 467.48 Å 3
Surface Area 399.28 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 6-c-galactopyranosylisoscutellarein
  • is-gal
  • isoscutellarein 6-galactoside
CAS Number(s)
  • 82014-23-1
InChIKey RKEQWDAUYLDNEU-JVJUFRIASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O