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

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Properties Simple | Detailed

Formula C14H18N2O11S
IUPAC Name [(2r,3s,4r,5r,6s)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl hydrogen sulfate
Molecular Mass 422.365 g·mol−1
Heat of Formation -1529.9 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 438.8 Å 3
Surface Area 377.13 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)-2-tetrahydropyranyl]methyl hydrogen sulfate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl hydrogen sulfate
  • [(2r,3s,4r,5r,6s)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)tetrahydropyran-2-yl]methyl hydrogen sulfate
  • beta-d-glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate)
  • npsadg
  • pnp-glcnac-6-so4
CAS Number(s)
  • 80095-44-9
InChIKey UGJNMWVITHXKNR-DHGKCCLASA-N
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