A 16886B

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22N4O9S
IUPAC Name (6r,7s)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 446.432 g·mol−1
Heat of Formation -1400.1 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 485.74 Å 3
Surface Area 425.63 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-3-(aminocarbonyloxymethyl)-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)-7-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-3-(carbamoyloxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3-(carbamoyloxymethyl)-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, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-7-methoxy-8-oxo-, carbamate (ester), monosodium salt
  • 842-a
  • a-16886-i
  • antibiotic 842 a
  • cephamycin c sodium
  • cephemimycin
  • p-6621
  • ws-3442-c
CAS Number(s)
  • 34279-51-1
InChIKey LXWBXEWUSAABOA-VXSYNFHWSA-N
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