4-O-α-D-Galactopyranuronosyl-α-D-Galactopyranuronic Acid

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Properties Simple | Detailed

Formula C12H18O13
IUPAC Name (2s,3r,4s,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 370.264 g·mol−1
Heat of Formation -2402.1 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 373.52 Å 3
Surface Area 297.11 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-oxan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3r,4s,5r,6s)-6-[[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (alpha-d-galactopyranosyluronic acid)-(1->4)-alpha-d-galactopyranuronic acid
  • 4-o-(alpha-d-galactopyranosyluronic acid)-alpha-d-galactopyranuronic acid
  • ad0
  • alpha-d,alpha-d-digalacturonic acid
  • o-(alpha-d-galactopyranosyluronic acid)-(1-4)-alpha-d-galactopyranuronic acid
InChIKey IGSYEZFZPOZFNC-MMGXBETBSA-N
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