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

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Properties Simple | Detailed

Formula C20H37N3O14
IUPAC Name (2r,3s,4r,5r,6s)-6-[(1r,2r,3r)-3-acetylazanidyl-1-[(1r)-1,2-dioxidoethyl]-2-[(2r,3r,4r,5s,6r)-3-λ1-azanyl-4,5-dioxido-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-4-oxo-butoxy]-5-λ1-azanyl-2-(oxidomethyl)tetrahydropyran-3,4-diolate
Molecular Mass 543.519 g·mol−1
Heat of Formation -2623.4 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 615.85 Å 3
Surface Area 463.84 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 3.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-2-deoxyglucopyranosyl-1-4-2-amino-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranoside
  • d-glucose, o-2-amino-2-deoxy-beta-d-glucopyranosyl-(1-4)-o-2-amino-2-deoxy-beta-d-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
  • glcn-glcn-glcnac (chito)
  • n-[(1r,2r,3r,4r)-2,3-bis[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-formyl-4,5-dihydroxypentyl]acetamide
  • n-[(1r,2r,3r,4r)-2,3-bis[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]-1-formyl-4,5-dihydroxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-2,3-bis[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]-1-formyl-4,5-dihydroxy-pentyl]acetamide
  • n-[(2r,3r,4r,5r)-3,4-bis[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5,6-dihydroxy-1-oxo-hexan-2-yl]ethanamide
  • n-[(2r,3r,4r,5r)-3,4-bis[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5,6-dihydroxy-1-oxohexan-2-yl]acetamide
CAS Number(s)
  • 138430-54-3
InChIKey VLYLDPWAIOGXBJ-WYEVLCNTSA-N
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