Clavulanic Acid

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Properties Simple | Detailed

Formula C8H9NO5
IUPAC Name (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 199.161 g·mol−1
Heat of Formation -689.1 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 217.3 Å 3
Surface Area 212.01 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3z,5r)-3-(2-hydroxyethylidene)-7-keto-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2r,5r)-3-(2-hydroxyethylidene)-7-keto-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2r,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (z)-(2r,5r)-3-(2-hydroxyethyliden)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (z)-(2r,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 3008-b
  • 4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2r-(2-alpha,3z,5-alpha))-
  • antibiotic mm 14151
  • clavulanate
  • clavulanic acid [ban:inn]
  • clavulinic acid
  • j01
  • mm 14151
InChIKey HZZVJAQRINQKSD-PBFISZAISA-N
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