ChemSpider 2D Image | (1R)-2-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-2-oxo-1-phenylethyl 3-hydroxy-N-methyl-N-(2-propylpentanoyl)valinate | C33H48N2O7

(1R)-2-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-2-oxo-1-phenylethyl 3-hydroxy-N-methyl-N-(2-propylpentanoyl)valinate

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID26376713

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-2-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-2-oxo-1-phenylethyl 3-hydroxy-N-methyl-N-(2-propylpentanoyl)valinate [ACD/IUPAC Name]
(1R)-2-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-2-oxo-1-phenylethyl-3-hydroxy-N-methyl-N-(2-propylpentanoyl)valinat [German] [ACD/IUPAC Name]
3-Hydroxy-N-méthyl-N-(2-propylpentanoyl)valinate de (1R)-2-{[2-(3,4-diméthoxyphényl)éthyl](méthyl)amino}-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
Threonine, N,3-dimethyl-N-(1-oxo-2-propylpentyl)-, (1R)-2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-2-oxo-1-phenylethyl ester [ACD/Index Name]
PHA-556656

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

Density: 1.1±0.1 g/cm3
Boiling Point: 717.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.6±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9097.61
ACD/KOC (pH 5.5): 23735.07
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9097.61
ACD/KOC (pH 7.4): 23735.07
Polar Surface Area: 106 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 522.9±3.0 cm3

Click to predict properties on the Chemicalize site


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