(N-Acetylneuraminosyl(Alpha2-6)Lactosamine)

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Properties Simple | Detailed

Formula C25H42N2O19
IUPAC Name (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 674.603 g·mol−1
Heat of Formation -3627.8 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 747.53 Å 3
Surface Area 531.55 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • 6-sialyllactosamine
  • alpha-n-acetylneuraminyl-2,6-beta-d-galactosyl-1,4-n-acetyl-beta-d-glucosamine
  • beta-d-glucopyranose, o-(n-acetyl-alpha-neuraminosyl)-(2-6)-o-beta-d-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
  • n-acetylneuraminosyl(alpha2-6)lactosamine
  • neuac-lact
  • neuacalpha2,6galnacbeta1,4glcnac
  • neuacalpha2-6galbeta1-4glcnacbeta
CAS Number(s)
  • 64364-50-7
InChIKey RPSBVJXBTXEJJG-LURNZOHQSA-N
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