ChemSpider 2D Image | Cefsulodin | C22H20N4O8S2

Cefsulodin

  • Molecular FormulaC22H20N4O8S2
  • Average mass532.546 Da
  • Monoisotopic mass532.072266 Da
  • ChemSpider ID570942

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)méthyl]-8-oxo-7-{[(2R)-2-phényl-2-sulfoacétyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
62587-73-9 [RN]
Cefsulodin
cefsulodinum [INN_la]
OV42LHE42B
Pyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt [ACD/Index Name]
(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
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4390 [DBID]
C11253 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.25
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability:
Surface Tension:
Molar Volume:

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