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

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Properties Simple | Detailed

Formula C14H22N2O5
IUPAC Name (5r,6r)-3-(4-azaniumyl-1,1-dimethyl-butyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 298.335 g·mol−1
Heat of Formation -795.8 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 367.84 Å 3
Surface Area 302.79 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-3-(4-amino-1,1-dimethyl-butyl)-6-(1-hydroxyethyl)-7-keto-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(4-amino-1,1-dimethyl-butyl)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(4-amino-1,1-dimethylbutyl)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(5-amino-2-methyl-pentan-2-yl)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(5-amino-2-methylpentan-2-yl)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey MJNFEDQKHJZAEX-RGNHYFCHSA-N
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