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

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Properties Simple | Detailed

Formula C8H9NO4S
IUPAC Name (5r,6r)-6-[(1r)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 215.226 g·mol−1
Heat of Formation -509.7 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 232.79 Å 3
Surface Area 213.99 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r-(5alpha,6alpha(r*)))-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
  • 2-(2-fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate
  • 2-fthpc
  • 4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-, (5r-(5alpha,6alpha(r*)))-
  • 6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid (5r-(5alpha,6alpha(r*)))-
CAS Number(s)
  • 91685-69-7
InChIKey IYPZTSDEYRDCBO-HGWBJXFBSA-N
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