(4As,5R,6S)-1-Oxo-5-Vinyl-4,4A,5,6-Tetrahydro-1H,3H-Pyrano[3,4-C]Pyran-6-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C22H32O14
IUPAC Name (3s,4r,4as)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[3,4-c]pyran-8-one
Molecular Mass 520.481 g·mol−1
Heat of Formation -2433.6 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 577.29 Å 3
Surface Area 465.64 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,5r,6s)-5-ethenyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • (4as,5r,6s)-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3h-pyrano[5,4-c]pyran-1-one
  • 1h,3h-pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-4,4a,5,6-tetrahydro-, (4as-(4aalpha,5beta,6alpha))-
  • 6'-o-glucopyranosylsweroside
CAS Number(s)
  • 151140-40-8
InChIKey LILOLDYAQAFVGN-DFOQSZTGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O