N-(4-Methylphenyl)-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C13H19NO5
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(4-methylanilino)tetrahydropyran-3,4,5-triol
Molecular Mass 269.294 g·mol−1
Heat of Formation -883.9 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 318.01 Å 3
Surface Area 285.58 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(4-methylphenyl)amino]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-methylol-6-[(4-methylphenyl)amino]tetrahydropyran-3,4,5-triol
InChIKey SCLFETMCMRCGEO-UJPOAAIJSA-N
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