ChemSpider 2D Image | Diphenylmethyl (6R,7R)-3-[5-(methoxycarbonyl)-2-thienyl]-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C34H28N2O6S2

Diphenylmethyl (6R,7R)-3-[5-(methoxycarbonyl)-2-thienyl]-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC34H28N2O6S2
  • Average mass624.726 Da
  • Monoisotopic mass624.138855 Da
  • ChemSpider ID8921831

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-3-[5-(Méthoxycarbonyl)-2-thiényl]-8-oxo-7-[(2-phénylacétyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[5-(methoxycarbonyl)-2-thienyl]-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R,7R)- [ACD/Index Name]
Diphenylmethyl (6R,7R)-3-[5-(methoxycarbonyl)-2-thienyl]-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Diphenylmethyl-(6R,7R)-3-[5-(methoxycarbonyl)-2-thienyl]-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 878.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.8±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7796.42
ACD/KOC (pH 5.5): 21252.46
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7796.42
ACD/KOC (pH 7.4): 21252.44
Polar Surface Area: 156 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

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