α-D-Galactopyranuronosyl-(1->4)-α-D-Galactopyranuronosyl-(1->4)-D-Galacturonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20O19
IUPAC Name carbon dioxide; (2s,3r)-3-[(1s)-1-(1-formyl-2-oxo-ethoxy)-2-oxo-ethoxy]-4-hydroxy-2-[(1s)-2-oxo-1-(2-oxovinyloxy)ethoxy]butanoate; methanone
Molecular Mass 540.340 g·mol−1
Heat of Formation -3458.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 558.96 Å 3
Surface Area 428.7 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r,6s)-3-[(2s,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-6-[(2s,3r,4r,5r)-1,2,4,5-tetrahydroxy-1,6-dioxo-hexan-3-yl]oxy-oxane-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-3-[(2s,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-[(1r,2r,3r)-1-[(1s)-1,2-dihydroxy-2-keto-ethyl]-2,3-dihydroxy-4-keto-butoxy]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-3-[(2s,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-[(1r,2r,3r)-1-[(1s)-1,2-dihydroxy-2-oxo-ethyl]-2,3-dihydroxy-4-oxo-butoxy]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-3-[(2s,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2s,3r,4r,5r)-1,2,4,5-tetrahydroxy-1,6-dioxohexan-3-yl]oxyoxane-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-3-[[(2s,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-6-[(1r,2r,3r)-1-[(1s)-1,2-dihydroxy-2-oxoethyl]-2,3-dihydroxy-4-oxobutoxy]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid
  • alpha-gala-gala-gala
  • d-galacturonic acid, o-alpha-d-galactopyranuronosyl-(1-4)-o-alpha-d-galactopyranuronosyl-(1-4)-
  • gala-(1-4)-gala-(1-4)-gala
  • o-galactopyranosyluronic acid-(1-4)-o-galactopyranosyluronic acid-(1-4)-galactopyranosyluronic acid
  • trigalacturonic acid
CAS Number(s)
  • 143120-92-7
  • 24008-92-2
  • 6037-45-2
InChIKey FMNDXLWVYMQMHF-XKLWFNJZSA-N
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