(6R,7S)-3-(Acetoxymethyl)-7-{[(5R)-5-Amino-5-Carboxypentanoyl]Amino}-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H23N3O9S
IUPAC Name (6r,7s)-3-(acetoxymethyl)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 445.444 g·mol−1
Heat of Formation -1456.1 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 492.69 Å 3
Surface Area 419.57 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(acetoxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(acetyloxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-3-(acetyloxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-7-methoxy-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)-7-methoxy-8-oxo-, (6r-(6-alpha,7-alpha,7(r*)))-
  • 7-methoxycephalosporin c
  • a-16884
  • antibiotic a 16884
CAS Number(s)
  • 41849-38-1
InChIKey ORQHMODRGXTBFU-LWNYNHHKSA-N
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