ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3S)-1-{[(2R,3R)-1-(isopropylcarbamoyl)-2,3-diphenylcyclopropyl]carbamoyl}-2,3-diphenylcyclopropyl]carbamate | C40H43N3O4

2-Methyl-2-propanyl [(2S,3S)-1-{[(2R,3R)-1-(isopropylcarbamoyl)-2,3-diphenylcyclopropyl]carbamoyl}-2,3-diphenylcyclopropyl]carbamate

  • Molecular FormulaC40H43N3O4
  • Average mass629.787 Da
  • Monoisotopic mass629.325378 Da
  • ChemSpider ID30651713

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S)-1-{[(2R,3R)-1-(Isopropylcarbamoyl)-2,3-diphénylcyclopropyl]carbamoyl}-2,3-diphénylcyclopropyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S)-1-{[(2R,3R)-1-(isopropylcarbamoyl)-2,3-diphenylcyclopropyl]carbamoyl}-2,3-diphenylcyclopropyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S)-1-{[(2R,3R)-1-(isopropylcarbamoyl)-2,3-diphenylcyclopropyl]carbamoyl}-2,3-diphenylcyclopropyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2S,3S)-1-[[[(2R,3R)-1-[[(1-methylethyl)amino]carbonyl]-2,3-diphenylcyclopropyl]amino]carbonyl]-2,3-diphenylcyclopropyl]-, 1,1-dimethylethyl 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: 819.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.3±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 412106.34
ACD/KOC (pH 5.5): 363740.75
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 411071.47
ACD/KOC (pH 7.4): 362827.34
Polar Surface Area: 97 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 512.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement