ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3S)-3-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-2-[(R)-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)(phenyl)methyl]-3-phenylpropanoate | C36H51NO6

2-Methyl-2-propanyl (2S,3S)-3-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-2-[(R)-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)(phenyl)methyl]-3-phenylpropanoate

  • Molecular FormulaC36H51NO6
  • Average mass593.793 Da
  • Monoisotopic mass593.371643 Da
  • ChemSpider ID30659221

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S)-3-({[(1R,2R,4R)-2-Méthoxy-7,7-diméthylbicyclo[2.2.1]hept-1-yl]méthyl}amino)-2-[(R)-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)(phényl)méthyl]-3-phénylpropanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3S)-3-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-2-[(R)-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)(phenyl)methyl]-3-phenylpropanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3S)-3-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-2-[(R)-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)(phenyl)methyl]-3-phenylpropanoat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[(R)-[[(1,1-dimethylethoxy)carbonyl]oxy]phenylmethyl]-β-[[[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl]amino]-, 1,1-dimethylethyl ester, (αS,bet
 aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 3065.62
ACD/KOC (pH 5.5): 2678.69
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 144602.97
ACD/KOC (pH 7.4): 126351.98
Polar Surface Area: 83 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 531.5±5.0 cm3

Click to predict properties on the Chemicalize site


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