ChemSpider 2D Image | 1-Methylcyclohexyl [(2S)-1-{(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxo-2-butanyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-3,3-dimethyl-1-oxo-2-butanyl]carbamate | C29H46N4O6

1-Methylcyclohexyl [(2S)-1-{(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxo-2-butanyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-3,3-dimethyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID8635540

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(2S)-1-{(1R,2S,5S)-2-[(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)carbamoyl]-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl}-3,3-diméthyl-1-oxo-2-butanyl]carbamate de 1-méthylcyclohexyle [French] [ACD/IUPAC Name]
1-Methylcyclohexyl [(2S)-1-{(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxo-2-butanyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-3,3-dimethyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
1-Methylcyclohexyl-[(2S)-1-{(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxo-2-butanyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}-3,3-dimethyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[(1R,2S,5S)-2-[[[3-amino-1-(cyclopropylmethyl)-2,3-dioxopropyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl]-2,2-dimethylpropyl]-, 1-methylcyclohexyl est er [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 351.83
ACD/KOC (pH 5.5): 2313.50
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 351.79
ACD/KOC (pH 7.4): 2313.22
Polar Surface Area: 148 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement