Methyl 2-Acetamido-4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C17H30N2O11
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 438.427 g·mol−1
Heat of Formation -2054.6 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 510.03 Å 3
Surface Area 415.33 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranoside, methyl 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-
  • methyl n,n'-diacetyl-beta-d-chitobioside
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • o-methyl-di-n-acetyl beta-chitobioside
CAS Number(s)
  • 21217-11-8
  • 19272-54-9
InChIKey OMQXNBZLIHSROF-GBZYHGPESA-N
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