2-Acetamido-2-Deoxy-3-O-(4-Deoxy-α-L-Threo-Hex-4-Enopyranuronosyl)-Beta-D-Galactopyranose

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Properties Simple | Detailed

Formula C14H21NO11
IUPAC Name (2r,3r,4s)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 379.317 g·mol−1
Heat of Formation -1961.2 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 410.76 Å 3
Surface Area 342.88 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[[(2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 4-deoxy-l-threo-hex-4-enopyranosyluronic acid-(1,3)-n-acetyl-d-galactosamine
  • dgc-(1-3)nga
  • ucd
  • unsaturated chondroitin disaccharide
InChIKey DLGJWSVWTWEWBJ-MUODBDBBSA-N
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