3-[(2S,4S,5R)-5,6-Dichloro-2,4-Dimethylhexanoyl]-2-Hydroxy-5,6-Dimethoxy-4(1H)-Pyridinone

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Properties Simple | Detailed

Formula C15H21Cl2NO5
IUPAC Name 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-hexanoyl]-4-hydroxy-5,6-dimethoxy-pyridin-2-one
Molecular Mass 366.237 g·mol−1
Heat of Formation -1020.6 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 399.59 Å 3
Surface Area 315.88 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-2-hydroxy-5,6-dimethoxy-1h-pyridin-4-one
  • 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone
  • 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-hexanoyl]-2-hydroxy-5,6-dimethoxy-1h-pyridin-4-one
  • 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-hexanoyl]-2-hydroxy-5,6-dimethoxy-4-pyridone
  • 3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethylhexanoyl]-2-hydroxy-5,6-dimethoxy-1h-pyridin-4-one
  • at5
  • atpenin a5
CAS Number(s)
  • 119509-24-9
InChIKey OVULNOOPECCZRG-CIUDSAMLSA-N
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