α-D-Galactopyranosyl-(1->3)-2-Acetamido-2-Deoxy-α-D-Glucopyranosyl 1-C-(5-Aminopentyl)-6-Deoxy-α-L-Galactopyranoside

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Properties Simple | Detailed

Formula C25H22N2O15
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(2s,3s,4r,5s,6s)-2-(5-aminopentyl)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular Mass 590.447 g·mol−1
Heat of Formation -3026.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 700.32 Å 3
Surface Area 486.22 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 4.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5-aminopentyl o-galactopyranosyl-1-4-o-(2-acetamido-2-deoxyglucopyranosyl)-1-3-fucopyranoside
  • alpha-l-galactopyranoside, 5-aminopentyl o-beta-d-galactopyranosyl-(1-4)-o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-3)-6-deoxy-
  • gal-1-4-glcnac-1-3-fuc
  • n-[(2r,3r,4r,5s,6r)-2-[(2s,3s,4r,5s,6s)-2-(5-aminopentyl)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2s,3s,4r,5s,6s)-2-(5-aminopentyl)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2s,3s,4r,5s,6s)-2-(5-aminopentyl)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methylol-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[[(2s,3s,4r,5s,6s)-2-(5-aminopentyl)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 160243-25-4
InChIKey VRXKBBPRDGIBPB-BEMBIUEJSA-N
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