ChemSpider 2D Image | (6R,7R)-3-(Acetoxymethyl)-7-({(2R)-2-[(2-furoylcarbamoyl)amino]-2-phenylacetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C24H22N4O9S

(6R,7R)-3-(Acetoxymethyl)-7-({(2R)-2-[(2-furoylcarbamoyl)amino]-2-phenylacetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC24H22N4O9S
  • Average mass542.518 Da
  • Monoisotopic mass542.110718 Da
  • ChemSpider ID112751

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R)-3-(Acetoxymethyl)-7-({(2R)-2-[(2-furoylcarbamoyl)amino]-2-phenylacetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-3-(Acetoxymethyl)-7-({(2R)-2-[(2-furoylcarbamoyl)amino]-2-phenylacetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2R)-2-[[[(2-furanylcarbonyl)amino]carbonyl]amino]-2-phenylacetyl]amino]-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-3-(acétoxyméthyl)-7-({(2R)-2-[(2-furoylcarbamoyl)amino]-2-phénylacétyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
(6R,7R)-3-(Acetyloxymethyl)-7-[[(2R)-2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-((3-(2-Furoyl)ureido)phenylacetamido)cephalosporanic acid
7-Fupaca
97965-20-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 344.8±5.0 cm3

Click to predict properties on the Chemicalize site


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