(+)-Cephalosporin C

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Properties Simple | Detailed

Formula C16H21N3O8S
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 415.418 g·mol−1
Heat of Formation -1307.0 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 462.71 Å 3
Surface Area 411.62 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6r-(6alpha,7beta(r*)))-
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5r)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6r,7r)-
  • 7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
  • cephalosporin c
  • cephalosporin c [ban]
CAS Number(s)
  • 39879-21-5
  • 51762-04-0
  • 59143-60-1
InChIKey HOKIDJSKDBPKTQ-GLXFQSAKSA-N
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