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

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Properties Simple | Detailed

Formula C12H15NO5S
IUPAC Name (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 285.316 g·mol−1
Heat of Formation -718.8 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 313.81 Å 3
Surface Area 277.42 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(5r,6s)-6-((1r)-1-hydroxyethyl)-7-oxo-3-((2r)-tetrahydro-2-furyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-(1-hydroxyethyl)-7-keto-3-(tetrahydrofuryl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-2-tetrahydrofuranyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • fropenem
CAS Number(s)
  • 106560-14-9
InChIKey HGGAKXAHAYOLDJ-FHZUQPTBSA-N
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