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

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Properties Simple | Detailed

Formula C14H20N2O6
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 312.318 g·mol−1
Heat of Formation -1010.2 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 362.86 Å 3
Surface Area 319.38 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-(4-aminophenoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
InChIKey RWZITXGZJXXMRL-DHGKCCLASA-N
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