1-[(6S,7R)-6-Hydroxy-5,5-Dimethyl-2-Nitro-6,7-Dihydro-5H-Thieno[3,2-B]Pyran-7-Yl]-2-Piperidinone

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Formula C14H18N2O5S
IUPAC Name 1-[(6s,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one
Molecular Mass 326.368 g·mol−1
Heat of Formation -520.4 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 355.49 Å 3
Surface Area 298.84 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(6s,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]-2-piperidinone
  • 1-[(6s,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]-2-piperidone
  • 1-[(6s,7r)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[2,3-e]pyran-7-yl]piperidin-2-one
  • 2-piperidinone, 1-(6,7-dihydro-6-hydroxy-5,5-dimethyl-2-nitro-5h-thieno(3,2-b)pyran-7-yl)-, cis-(+-)-
  • 5,6-dihydro-6-hydroxy-5,5-dimethyl-2-nitro-7-(2-oxopiperidin-1-yl)-5h-thieno(3,2-b)pyran
  • 5,6-dnotp
  • rwj 26629
  • rwj-26629
CAS Number(s)
  • 144319-31-3
InChIKey QPFLGGHDOFTBOK-AAEUAGOBSA-N
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