ChemSpider 2D Image | Diphenylmethyl (6R,7R)-3,4-bis(methylene)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate | C28H24N2O4S2

Diphenylmethyl (6R,7R)-3,4-bis(methylene)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

  • Molecular FormulaC28H24N2O4S2
  • Average mass516.631 Da
  • Monoisotopic mass516.117737 Da
  • ChemSpider ID117723
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(6R,7R)-3,4-Diméthylène-8-oxo-7-{[2-(2-thiényl)acétyl]amino}-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3,4-bis(methylene)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, diphenylmethyl ester, (6R,7R)- [ACD/Index Name]
Diphenylmethyl (6R,7R)-3,4-bis(methylene)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate [ACD/IUPAC Name]
Diphenylmethyl-(6R,7R)-3,4-dimethylen-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octan-2-carboxylat [German] [ACD/IUPAC Name]
2,3-di-exo-methylencepham
2,3-Dxme
5-Thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, 3,4-bis(methylene)-8-oxo-7-((2-thienylacetyl)amino)-, diphenylmethyl ester, (6R-(6α,7β))-
80366-21-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2863.43
ACD/KOC (pH 5.5): 10376.10
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2863.42
ACD/KOC (pH 7.4): 10376.08
Polar Surface Area: 129 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 374.2±5.0 cm3

Click to predict properties on the Chemicalize site






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