2-Acetamido-2-Deoxy-3-O-β-D-Glucopyranuronosyl-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C14H23NO12
IUPAC Name (2s,3s,4s,5r,6r)-6-[(1r,2r,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 -2179.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 435.47 Å 3
Surface Area 359.49 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-keto-ethyl]-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxoethyl]-2,3,4-trihydroxybutoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r)-2-acetamido-4,5,6-trihydroxy-1-oxo-hexan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[(2r,3r,4r,5r)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 2-(acetylamino)-2-deoxy-3-o-glucopyranuronosyl-d-glucopyranose
  • beta-glucuronic acid(1-3) n-acetyl-d-glucosamine
  • d-glucose, 2-(acetylamino)-2-deoxy-3-o-beta-d-glucopyranuronosyl-
  • n-acetylhyalobiuronic acid
CAS Number(s)
  • 13551-21-8
InChIKey VBDULUWSKCYWTK-HVLWPHHJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N