2-Acetamido-2-Deoxy-6-O-Methyl-β-D-Allopyranose

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Properties Simple | Detailed

Formula C9H17NO6
IUPAC Name n-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(methoxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 235.234 g·mol−1
Heat of Formation -1145.3 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 268.85 Å 3
Surface Area 242.5 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 3.97 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(methoxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(methoxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(methoxymethyl)tetrahydropyran-3-yl]acetamide
InChIKey KDTVUHXJRZVEIF-HXLXBVJFSA-N
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