2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->2)-4-O-Methyl-Alpha-D-Mannopyranosyl 1-C-(4-Nitrophenyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H21N2O18
IUPAC Name (2r,4s,5r,8s)-4-(1-formyl-2-oxo-vinyloxy)-2-[(1s)-1-[(2r,3s)-3-isocyano-4,5-dioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-2-oxo-ethyl]-8-(methoxymethyl)-4-(4-nitrobenzene-2,3,5,6-tetraid-1-yl)-7-oxo-1,3,6-trioxocane-5-carbaldehyde; methanone
Molecular Mass 661.458 g·mol−1
Heat of Formation -2910.8 ± 16.7 kJ·mol−1
Dipole Moment 10.70 ± 1.08 D
Volume 743.41 Å 3
Surface Area 518.17 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nadgmg
  • 4-nitrophenyl o-(2-acetamido-2-deoxy-beta-d-glucopyranosyl)-(1-2)-o-(4-o-methyl-alpha-d-mannopyranosyl)-(1-6)-beta-d-glucopyranoside
  • 4-nitrophenyl o-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-o-(4-o-methylmannopyranosyl)-(1-6)-glucopyranoside
  • 4-nitrophenyl o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-2)-o-3,6-di-o-acetyl-4-o-methyl-alpha-d-mannopyranosyl-(1-6)-beta-d-glucopyranoside 2,3-diacetate
  • beta-d-glucopyranoside, 4-nitrophenyl o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-2)-o-3,6-di-o-acetyl-4-o-methyl-alpha-d-mannopyranosyl-(1-6)-, 2,3-diacetate
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5s,6r)-4-hydroxy-5-methoxy-6-methylol-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-2-(4-nitrophenyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[[(2r,3s,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 131089-46-8
InChIKey PWUYCPKVMQERHF-ITEYERCFSA-N
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