(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-Hydroxy-2-Oxo-3-Azepanyl]-2-Methoxy-8,8-Dimethyl-6-Nonenamide

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Properties Simple | Detailed

Formula C18H32N2O7
IUPAC Name (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s,6r)-6-hydroxy-2-oxo-azepan-3-yl]-2-methoxy-8,8-dimethyl-non-6-enamide
Molecular Mass 388.456 g·mol−1
Heat of Formation -1383.3 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 474.6 Å 3
Surface Area 400.28 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 3.48 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s,6r)-6-hydroxy-2-keto-azepan-3-yl]-2-methoxy-8,8-dimethyl-non-6-enamide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s,6r)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethylnon-6-enamide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s,6r)-6-hydroxy-2-oxo-azepan-3-yl]-2-methoxy-8,8-dimethyl-non-6-enamide
  • (e,2r,3r,4s,5r)-3,4,5-trihydroxy-n-[(3s,6r)-6-hydroxy-2-oxoazepan-3-yl]-2-methoxy-8,8-dimethylnon-6-enamide
InChIKey FVBBTOIQETYGOA-SDNORSGYSA-N
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