Cefsulodin

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Properties Simple | Detailed

Formula C22H21N4O8S2+
IUPAC Name (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 533.554 g·mol−1
Heat of Formation -803.1 ± 16.7 kJ·mol−1
Dipole Moment 16.60 ± 1.08 D
Volume 563.81 Å 3
Surface Area 460.23 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2r)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number(s)
  • 62587-73-9
InChIKey SYLKGLMBLAAGSC-QLVMHMETSA-N
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