ChemSpider 2D Image | 2-Methyl-2-propanyl (2-{(1R,2S,5S)-2-[{[(2S)-2-carbamoylcyclobutyl]methyl}(2-oxoethyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-1-cyclohexyl-2-oxoethyl)carbamate | C29H46N4O6

2-Methyl-2-propanyl (2-{(1R,2S,5S)-2-[{[(2S)-2-carbamoylcyclobutyl]methyl}(2-oxoethyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-1-cyclohexyl-2-oxoethyl)carbamate

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID8545674

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2-{(1R,2S,5S)-2-[{[(2S)-2-Carbamoylcyclobutyl]méthyl}(2-oxoéthyl)carbamoyl]-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl}-1-cyclohexyl-2-oxoéthyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2-{(1R,2S,5S)-2-[{[(2S)-2-carbamoylcyclobutyl]methyl}(2-oxoethyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-1-cyclohexyl-2-oxoethyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2-{(1R,2S,5S)-2-[{[(2S)-2-carbamoylcyclobutyl]methyl}(2-oxoethyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-1-cyclohexyl-2-oxoethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(1R,2S,5S)-2-[[[[(2S)-2-(aminocarbonyl)cyclobutyl]methyl](2-oxoethyl)amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl]-, 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: 751.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.4±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.89
ACD/KOC (pH 5.5): 850.23
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.89
ACD/KOC (pH 7.4): 850.17
Polar Surface Area: 139 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 457.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement