ChemSpider 2D Image | (1R,2S,4S)-1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl (4S,5S)-3-mesityl-5-(2-methyl-2-propanyl)-4,5-dihydro-1,2-oxazole-4-carboxylate | C39H60N2O5S

(1R,2S,4S)-1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl (4S,5S)-3-mesityl-5-(2-methyl-2-propanyl)-4,5-dihydro-1,2-oxazole-4-carboxylate

  • Molecular FormulaC39H60N2O5S
  • Average mass668.969 Da
  • Monoisotopic mass668.422302 Da
  • ChemSpider ID9738527

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,4S)-1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl (4S,5S)-3-mesityl-5-(2-methyl-2-propanyl)-4,5-dihydro-1,2-oxazole-4-carboxylate [ACD/IUPAC Name]
(1R,2S,4S)-1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl-(4S,5S)-3-mesityl-5-(2-methyl-2-propanyl)-4,5-dihydro-1,2-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
(4S,5S)-3-Mésityl-5-(2-méthyl-2-propanyl)-4,5-dihydro-1,2-oxazole-4-carboxylate de (1R,2S,4S)-1-[(dicyclohexylsulfamoyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
4-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-4,5-dihydro-3-(2,4,6-trimethylphenyl)-, (1R,2S,4S)-1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (4S,5S)- [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: 715.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 187.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.96
ACD/LogD (pH 5.5): 9.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3941193.75
ACD/LogD (pH 7.4): 9.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3941193.75
Polar Surface Area: 94 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 543.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement