ChemSpider 2D Image | Diethyl (1,2-ethynediylbis{3,1-phenylenecarbamoyl(2S)-2,1-pyrrolidinediyl[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate (non-preferred name) | C40H52N6O8

Diethyl (1,2-ethynediylbis{3,1-phenylenecarbamoyl(2S)-2,1-pyrrolidinediyl[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate (non-preferred name)

  • Molecular FormulaC40H52N6O8
  • Average mass744.876 Da
  • Monoisotopic mass744.384644 Da
  • ChemSpider ID129302494

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1,2-Éthynediylbis{3,1-phénylènecarbamoyl(2S)-2,1-pyrrolidinediyl[(2S)-3-méthyl-1-oxo-1,2-butanediyl]})biscarbamate de diéthyle (non-preferred name) [French] [ACD/IUPAC Name]
Diethyl (1,2-ethynediylbis{3,1-phenylenecarbamoyl(2S)-2,1-pyrrolidinediyl[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate (non-preferred name) [ACD/IUPAC Name]
Diethyl-(1,2-ethindiylbis{3,1-phenylencarbamoyl(2S)-2,1-pyrrolidindiyl[(2S)-3-methyl-1-oxo-1,2-butandiyl]})biscarbamat (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 990.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 553.0±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2068.45
ACD/KOC (pH 5.5): 8215.94
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2068.12
ACD/KOC (pH 7.4): 8214.60
Polar Surface Area: 175 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 586.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement