(6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranonosyl-(2->3)-β-D-Galactopyranosyl-(1->3)-2-Acetamido-2-Deoxy-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C25H42N2O19
IUPAC Name (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 674.603 g·mol−1
Heat of Formation -3621.8 ± 16.7 kJ·mol−1
Dipole Moment 16.76 ± 1.08 D
Volume 736.95 Å 3
Surface Area 551.31 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5s,6r)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • alpha-neu5ac-2-3-gal-1-3-glcnac
  • alpha-neup5ac-2-3-galp-1-3-glcpnac
  • nggnac
  • o-(5-acetamido-3,5-dideoxy-d-glycero-d-galacto-2-nonulopyranosylonic acid)-(2-3)-o-galactopyranosyl-(1-3)-2-acetamido-2-deoxyglucopyranose
  • sia-(2-3)gal-(1-3)nag
CAS Number(s)
  • 142434-22-8
InChIKey KMRCGPSUZRGVOV-CTFHGZAXSA-N
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