3-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-D-Galactitol

Molecule SVG Image

Properties Simple | Detailed

Formula C14H27NO11
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 385.364 g·mol−1
Heat of Formation -2160.3 ± 16.7 kJ·mol−1
Dipole Moment 9.24 ± 1.08 D
Volume 438.05 Å 3
Surface Area 353.19 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetamido-2-deoxyglucosyl-(1-3)-galactitol
  • 2-acetamido-2-deoxyglucosylgalactitol
  • 2-adgg
  • d-galactitol, 3-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-
  • n-[(2s,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1r,2s,3r)-1-[(1s)-1,2-dihydroxyethyl]-2,3,4-trihydroxybutoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]acetamide
CAS Number(s)
  • 76319-51-2
InChIKey PJAADWAJCPITFH-BTQUHPNKSA-N
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