4-Nitrophenyl 2-Acetamido-2-Deoxy-6-O-β-D-Galactopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C18H7N2O13
IUPAC Name formaldehyde; [2-(1-methylene-3-nitrosooxy-prop-2-ynoxy)-4,5-dioxo-6-(oxomethylene)pyran-3-yl]-methylidyne-ammonium; 2-(oxomethylene)tetrahydropyran-3,4,5-trione
Molecular Mass 459.254 g·mol−1
Heat of Formation -1934.7 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 552.68 Å 3
Surface Area 456.55 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenyl-2-acetamido-2-deoxy-6-o-beta-d-galactopyranosyl-beta-d-glucopyranoside
  • beta-d-glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-6-o-beta-d-galactopyranosyl-
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-(4-nitrophenoxy)-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]acetamide
  • para-nitrophenyl-2-acetamido-2-deoxy-6-o-beta-d-galactopyranosyl-beta-d-glucopyranoside
CAS Number(s)
  • 57467-16-0
InChIKey VNGNSGLTOYLOTI-LFSUROOISA-N
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