4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C13H25NO10
IUPAC Name n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1r,2s,3s)-2,3,4-trihydroxy-1-(hydroxymethyl)butoxy]tetrahydropyran-3-yl]acetamide
Molecular Mass 355.338 g·mol−1
Heat of Formation -1891.7 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 410.04 Å 3
Surface Area 328.52 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(o-(2-acetamido)-2-deoxy-beta-d-glucopyranosyl)-d-ribitol
  • 4-adgr
  • 4-o-(2-acetamido-2-deoxy-beta-glucopyranosyl)ribitol
  • d-ribitol, 4-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1r,2s,3s)-2,3,4-trihydroxy-1-(hydroxymethyl)butoxy]-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1r,2s,3s)-2,3,4-trihydroxy-1-(hydroxymethyl)butoxy]tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3s,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3s,4s)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-methylol-2-[(1r,2s,3s)-2,3,4-trihydroxy-1-methylol-butoxy]tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 21150-24-3
InChIKey NYPXFLPLYKUBGD-SKCKNYEVSA-N
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