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

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Properties Simple | Detailed

Formula C14H21NO11
IUPAC Name (2r,3r,4s)-2-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,4-dihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 379.317 g·mol−1
Heat of Formation -1932.2 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 418.11 Å 3
Surface Area 336.81 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-keto-ethyl]-2,3,4-trihydroxy-butoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxoethyl]-2,3,4-trihydroxybutoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(2r,3r,4r,5r)-2-acetamido-4,5,6-trihydroxy-1-oxo-hexan-3-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-6-[(2r,3r,4r,5r)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 2-acetamido-2-deoxy-3-o-(beta-d-gluco-4-enepyranosyluronic acid)-d-glucose
  • 2-acetamido-2-deoxy-3-o-(gluco-4-enepyranosyluronic acid)glucose
  • 2-adgpuag
  • d-glucose, 2-(acetylamino)-2-deoxy-3-o-(4-deoxy-alpha-l-threo-hex-4-enopyranuronosyl)-
CAS Number(s)
  • 110326-09-5
InChIKey AALORNCJXUQNQW-FNGWHDOKSA-N
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