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ChemSpider 2D Image | Diphenylmethyl 3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C28H24N2O5S

Diphenylmethyl 3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC28H24N2O5S
  • Average mass500.566 Da
  • Monoisotopic mass500.140594 Da
  • ChemSpider ID11392331

More details:

Date of deprecation: 16:16, Jul 12, 2013
Reason for deprecation: Deprecate record: Data sources are referring to the 6R,7R enantiomer.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

3-Hydroxy-8-oxo-7-[(2-phénylacétyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
Diphenylmethyl-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6r,7r)-3-hydroxy-8-oxo-7-((phenylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid diphenyl methyl ester
7-Phenyl acetamido-3-Hydroxy-3-Cephem-4-Carboxylic acid Diphenylmethyl ester , 3-OH
Benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MFCD00191259 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.0 g/cm3
Boiling Point: 777.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 118.6±0.0 kJ/mol
Flash Point: 423.8±0.0 °C
Index of Refraction: 1.708
Molar Refractivity: 137.0±0.0 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 10.13
ACD/KOC (pH 5.5): 92.59
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 121 Å2
Polarizability: 54.3±0.0 10-24cm3
Surface Tension: 73.2±0.0 dyne/cm
Molar Volume: 351.1±0.0 cm3

Click to predict properties on the Chemicalize site

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