2-Acetamido-N-Carbamoyl-2-Deoxy-4-O-β-D-Mannopyranosyl-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C15H27N3O11
IUPAC Name n-[(2r,3r,4r,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-ureido-tetrahydropyran-3-yl]acetamide
Molecular Mass 425.388 g·mol−1
Heat of Formation -2061.0 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 469.69 Å 3
Surface Area 389.18 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • magau
  • mannosyl-(1-4)-n-acetylglucosaminyl-(1-n)-urea
  • n-[(2r,3r,4r,5s,6r)-2-(aminocarbonylamino)-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-2-(carbamoylamino)-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-ureido-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-ureido-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-hydroxy-6-methylol-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-ureido-tetrahydropyran-3-yl]acetamide
  • urea, (2-(acetylamino)-2-deoxy-4-o-beta-d-mannopyranosyl-beta-d-glucopyranosyl)-
CAS Number(s)
  • 119059-62-0
InChIKey KBEQFGRCZSCJHH-JVHZDDNZSA-N
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