(2S,5R,6R)-6-[(3-Furylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H16N2O5S
IUPAC Name (2s,5r,6r)-6-[[2-(3-furyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 324.352 g·mol−1
Heat of Formation -662.3 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 366.61 Å 3
Surface Area 296.02 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-(2-furan-3-ylethanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[(2-furan-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[2-(3-furyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[2-(3-furyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[2-(3-furyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 3-furylmethylpenicillin
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-furanylacetyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-
CAS Number(s)
  • 35987-91-8
InChIKey FKQHSOFIIMPCIV-JFGNBEQYSA-N
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