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

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Properties Simple | Detailed

Formula C13H19NO5
IUPAC Name (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-(4-methylanilino)tetrahydropyran-3,4,5-triol
Molecular Mass 269.294 g·mol−1
Heat of Formation -891.0 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 315.63 Å 3
Surface Area 283.1 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-[(4-methylphenyl)amino]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-methylol-6-[(4-methylphenyl)amino]tetrahydropyran-3,4,5-triol
  • bim-0008642.p001
  • cbmicro_008731
InChIKey SCLFETMCMRCGEO-NAWOPXAZSA-N
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