4-Nitrophenyl 2-Acetamido-2-Deoxy-3-O-β-D-Galactopyranosyl-Alpha-D-Galactopyranoside

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Properties Simple | Detailed

Formula C20H28N2O13
IUPAC Name n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 504.442 g·mol−1
Heat of Formation -1988.3 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 547.15 Å 3
Surface Area 436.96 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenyl 2-acetamido-2-deoxy-3-o-(beta-d-galactopyranosyl)-alpha-d-galactopyranoside
  • n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-methylol-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • p-nitrophenyl galacto-n-bioside
  • pnp gal-beta1,3-galnac
InChIKey INMOOBMAIAWVBW-UVFFFCKLSA-N
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