(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-Methyl-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Formula C9H11NO5
IUPAC Name (5r,6s)-6-[(1r)-1-hydroxyethyl]-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 213.187 g·mol−1
Heat of Formation -727.8 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 237.5 Å 3
Surface Area 219.15 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-6-(1-hydroxyethyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-(1-hydroxyethyl)-7-keto-3-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • 2-methyl-6-hydroxyethyl-1-oxapenem-3-carboxylic acid
  • 6-(1-hydroxyethyl)-2-methyl-1-oxa-2-penem-3-carboxylic acid
  • hm-1-oxapenem
CAS Number(s)
  • 132015-03-3
InChIKey NIPBXCSEIQAANF-TWOGKDBTSA-N
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