Hc-Toxin

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Formula C21H32N4O6
IUPAC Name (3s,6r,9s,12r)-6,9-dimethyl-3-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular Mass 436.502 g·mol−1
Heat of Formation -1048.9 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 528.73 Å 3
Surface Area 434.13 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,9s,12r)-3-[6-keto-6-[(2s)-oxiran-2-yl]hexyl]-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone
  • (3s,6r,9s,12r)-6,9-dimethyl-3-[6-[(2s)-2-oxiranyl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,6r,9s,12r)-6,9-dimethyl-3-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,6r,9s,12r)-6,9-dimethyl-3-[6-[(2s)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
InChIKey GNYCTMYOHGBSBI-SVZOTFJBSA-N
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