(2Z,4R,5R)-N-Hydroxy-2-(5-Hydroxy-6-Oxo-2,4-Cyclohexadien-1-Ylidene)-N-[2-(1H-Imidazol-5-Yl)Ethyl]-5-Methyl-1,3-Oxazolidine-4-Carboxamide

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Properties Simple | Detailed

Formula C16H18N4O5
IUPAC Name (2z,4r,5r)-n-hydroxy-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-n-(2-imidazol-3-ium-4-ylium-4-ylethyl)-5-methyl-oxazolidine-4-carboxamide
Molecular Mass 346.338 g·mol−1
Heat of Formation -429.1 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 389.65 Å 3
Surface Area 328.84 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4r,5r)-n-hydroxy-2-(5-hydroxy-6-keto-1-cyclohexa-2,4-dienylidene)-n-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-oxazolidine-4-carboxamide
  • (2z,4r,5r)-n-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-1,3-oxazolidine-4-carboxamide
  • (2z,4r,5r)-n-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-4-oxazolidinecarboxamide
  • (2z,4r,5r)-n-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-n-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-oxazolidine-4-carboxamide
  • 4-oxazolecarboxamide, 2-(2,3-dihydroxyphenyl)-4,5-dihydro-n-hydroxy-n-(2-(1h-imidazol-4-yl)ethyl)-5-methyl-, cis-(-)-
  • acinetobactin
CAS Number(s)
  • 160472-93-5
InChIKey DYESEQWBWHUEDV-PVBSNRTBSA-N
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