β-D-Galactopyranuronosyl-(1->4)-Alpha-D-Galactopyranuronosyl-(1->4)-Alpha-D-Galactopyranuronic Acid

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Properties Simple | Detailed

Formula C18H26O19
IUPAC Name (2s,3r,4s,5r,6r)-6-[(2s,3r,4r,5r,6s)-2-carboxy-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 546.388 g·mol−1
Heat of Formation -3494.9 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 539.64 Å 3
Surface Area 413.88 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-oxan-3-yl]oxy-3-[(2r,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-oxane-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-3-[(2r,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-6-[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3-[(2r,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
  • (2s,3r,4r,5r,6s)-6-[[(2s,3r,4r,5r,6s)-2-carboxy-4,5,6-trihydroxy-3-tetrahydropyranyl]oxy]-3-[[(2r,3r,4s,5r,6s)-6-carboxy-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid
InChIKey LCLHHZYHLXDRQG-ZZHDOSMQSA-N
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