2-Acetamido-2-Deoxy-3-O-α-L-Idopyranuronosyl-D-Galactose

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Properties Simple | Detailed

Formula C14H23NO12
IUPAC Name (2r,3s,4s,5r,6r)-6-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 397.332 g·mol−1
Heat of Formation -2222.4 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 431.61 Å 3
Surface Area 349.54 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-6-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-keto-ethyl]-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-6-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-6-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxoethyl]-2,3,4-trihydroxybutoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2r,3s,4s,5r,6r)-6-[(2r,3r,4s,5r)-2-acetamido-4,5,6-trihydroxy-1-oxo-hexan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-6-[(2r,3r,4s,5r)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • d-galactose, 2-(acetylamino)-2-deoxy-3-o-alpha-l-idopyranuronosyl-
  • n-acetyldermosine
CAS Number(s)
  • 20314-62-9
InChIKey VBDULUWSKCYWTK-RAWGSSNYSA-N
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