4-Nitrophenyl 2-Acetamido-2-Deoxy-β-D-Mannopyranosyl-(1->2)-6-O-Methyl-Alpha-D-Mannopyranosyl-(1->6)-β-D-Glucopyranoside

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Formula C27H40N2O18
IUPAC Name n-[(2s,3s,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(methoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 680.609 g·mol−1
Heat of Formation -2896.8 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 745.29 Å 3
Surface Area 529.67 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenyl o-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-o-(6-o-methylmannopyranosyl)-(1-6)-glucopyranoside
  • 4-no2ph-ooah
  • n-[(2s,3s,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(methoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3s,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(methoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3s,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(methoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3s,4r,5s,6r)-2-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(methoxymethyl)-2-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-nitrophenoxy)-2-tetrahydropyranyl]methoxy]-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 147985-37-3
InChIKey PNKNDAZYCBSECR-NBPSDWTJSA-N
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