4-Nitrophenyl 2-Acetamido-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C14H18N2O8
IUPAC Name n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamide
Molecular Mass 342.301 g·mol−1
Heat of Formation -1037.1 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 380.37 Å 3
Surface Area 334.33 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-nitrophenyl-2-acetamido-2-deoxy-beta-glucopyranoside
  • 4-nitrophenyl-n-acetyl-2-deoxyglucopyranoside
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-methylol-2-(4-nitrophenoxy)tetrahydropyran-3-yl]acetamide
  • smp1_000214
CAS Number(s)
  • 3459-18-5
InChIKey OMRLTNCLYHKQCK-DHGKCCLASA-N
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