N-[(3S,4R,5R,6R)-4,5,6-Trihydroxy-3-Azepanyl]Acetamide

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Properties Simple | Detailed

Formula C8H16N2O4
IUPAC Name n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide
Molecular Mass 204.224 g·mol−1
Heat of Formation -771.6 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 242.13 Å 3
Surface Area 223.63 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide
  • n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]ethanamide
InChIKey RGHXJBVAPJFIEQ-LXGUWJNJSA-N
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