2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->3)-[β-D-Mannopyranosyl-(1->4)]-2-Acetamido-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C22H38N2O16
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-3,4-dihydroxy-2-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 586.541 g·mol−1
Heat of Formation -2978.0 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 669.49 Å 3
Surface Area 464.7 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • d-glucose, o-beta-d-mannopyranosyl-(1-4)-o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
  • man-1-4-glcnac-1-4-glcnac
  • man1glcnac2
  • manbeta1-4glcnacbeta1-4glcnac
  • mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose
  • n-[(2r,3r,4r,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-keto-ethyl]-3,4-dihydroxy-2-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-3,4-dihydroxy-2-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(1r,2r,3r)-1-[(1r)-1-acetamido-2-oxoethyl]-3,4-dihydroxy-2-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CAS Number(s)
  • 61652-90-2
InChIKey KKVSBKIJLRBEOH-IYUSVQODSA-N
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