ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-({(2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[3-(benzyloxy)phenyl]-1-oxo-2-propanyl}amino)-3-methyl-1-oxo-2-butanyl]carbamate | C36H43N3O7

2-Methyl-2-propanyl [(2S)-1-({(2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[3-(benzyloxy)phenyl]-1-oxo-2-propanyl}amino)-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID9181891

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-1-({(2S)-1-[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[3-(benzyloxy)phényl]-1-oxo-2-propanyl}amino)-3-méthyl-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-({(2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[3-(benzyloxy)phenyl]-1-oxo-2-propanyl}amino)-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-({(2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[3-(benzyloxy)phenyl]-1-oxo-2-propanyl}amino)-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-methyl-1-[[[(1S)-2-oxo-2-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]-1-[[3-(phenylmethoxy)phenyl]methyl]ethyl]amino]carbonyl]propyl]-, 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: 825.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.1±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 173.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25558.79
ACD/KOC (pH 5.5): 49716.69
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25551.53
ACD/KOC (pH 7.4): 49702.55
Polar Surface Area: 123 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 523.3±3.0 cm3

Click to predict properties on the Chemicalize site


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