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

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Properties Simple | Detailed

Formula C15H23NO5+
IUPAC Name 3-[(2s,4r)-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-pyridin-2-one
Molecular Mass 297.347 g·mol−1
Heat of Formation -939.1 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 362.77 Å 3
Surface Area 314.13 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,4r)-2,4-dimethyl-1-oxohexyl]-2-hydroxy-5,6-dimethoxy-1h-pyridin-4-one
  • 3-[(2s,4r)-2,4-dimethylhexanoyl]-2-hydroxy-5,6-dimethoxy-1h-pyridin-4-one
  • 3-[(2s,4r)-2,4-dimethylhexanoyl]-2-hydroxy-5,6-dimethoxy-4-pyridone
  • atpenin b
CAS Number(s)
  • 119509-26-1
InChIKey UQWHXKHYKUVKKD-BDAKNGLRSA-N
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