(5R,6E)-3-{(R)-[(E)-2-Acetamidovinyl]Sulfinyl}-6-(1-Hydroxy-2-Propanylidene)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H16N2O6S
IUPAC Name (5r,6e)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(2-hydroxy-1-methyl-ethylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 340.352 g·mol−1
Heat of Formation -737.3 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 378.46 Å 3
Surface Area 341.24 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6e)-3-[(r)-[(e)-2-acetamidoethenyl]sulfinyl]-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6e)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(2-hydroxy-1-methyl-ethylidene)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6e)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(2-hydroxy-1-methyl-ethylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6e)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(2-hydroxy-1-methylethylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)sulfinyl)-6-(2-hydroxy-1-methylethylidene)-7-oxo-, (r-(r*,r*-(e,e)))-
  • asparenomycin
  • asparenomycin a
  • asparenomycin b
  • asparenomycin c
CAS Number(s)
  • 76466-24-5
InChIKey KJQZKTFSANMFQJ-LUFSYTLSSA-N
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