ChemSpider 2D Image | Tert-Butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-Amino-1-Cyclopropyl-3-Hydroxy-4-Oxobutan-2-Yl]carbamoyl}-6,6-Dimethyl-3-Azabicyclo[3.1.0]hex-3-Yl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate | C26H44N4O6

Tert-Butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-Amino-1-Cyclopropyl-3-Hydroxy-4-Oxobutan-2-Yl]carbamoyl}-6,6-Dimethyl-3-Azabicyclo[3.1.0]hex-3-Yl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate

  • Molecular FormulaC26H44N4O6
  • Average mass508.651 Da
  • Monoisotopic mass508.326080 Da
  • ChemSpider ID35033841

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-Amino-1-cyclopropyl-3-hydroxy-4-oxo-2-butanyl]carbamoyl}-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-diméthyl-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxo-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]
2-Methyl-2-propanyl-{(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxo-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-[[[(1S,2R)-3-amino-1-(cyclopropylmethyl)-2-hydroxy-3-oxopropyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl]-2,2-dimethylpropyl]-, 1,1-dime thylethyl ester [ACD/Index Name]
Tert-Butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-Amino-1-Cyclopropyl-3-Hydroxy-4-Oxobutan-2-Yl]carbamoyl}-6,6-Dimethyl-3-Azabicyclo[3.1.0]hex-3-Yl]-3,3-Dimethyl-1-Oxobutan-2-Yl}carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.19
ACD/KOC (pH 5.5): 1358.28
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.18
ACD/KOC (pH 7.4): 1358.16
Polar Surface Area: 151 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site


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