ChemSpider 2D Image | (1S,2R,4R)-1-(Dicyclohexylsulfamoyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl 2-cyano-4-methyl-D-leucinate | C29H49N3O4S

(1S,2R,4R)-1-(Dicyclohexylsulfamoyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl 2-cyano-4-methyl-D-leucinate

  • Molecular FormulaC29H49N3O4S
  • Average mass535.782 Da
  • Monoisotopic mass535.344360 Da
  • ChemSpider ID74107752

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,4R)-1-(Dicyclohexylsulfamoyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl 2-cyano-4-methyl-D-leucinate [ACD/IUPAC Name]
(1S,2R,4R)-1-(Dicyclohexylsulfamoyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl-2-cyan-4-methyl-D-leucinat [German] [ACD/IUPAC Name]
2-Cyano-4-méthyl-D-leucinate de (1S,2R,4R)-1-(dicyclohexylsulfamoyl)-7,7-diméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
D-Leucine, 2-cyano-4-methyl-, (1S,2R,4R)-1-[(dicyclohexylamino)sulfonyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21163.35
ACD/KOC (pH 5.5): 43384.09
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21249.66
ACD/KOC (pH 7.4): 43561.03
Polar Surface Area: 122 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 457.2±5.0 cm3

Click to predict properties on the Chemicalize site


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