ChemSpider 2D Image | Ethyl (3R,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-5-phenyl-D-norvalinate | C31H45N3O7

Ethyl (3R,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-5-phenyl-D-norvalinate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID8992211

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S)-3-Hydroxy-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-N-{4-[2-(4-morpholinyl)éthoxy]benzyl}-5-phényl-D-norvalinate d'éthyle [French] [ACD/IUPAC Name]
D-Norvaline, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-N-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-5-phenyl-, ethyl ester, (3R,4S)- [ACD/Index Name]
Ethyl (3R,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-5-phenyl-D-norvalinate [ACD/IUPAC Name]
Ethyl-(3R,4S)-3-hydroxy-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-5-phenyl-D-norvalinat [German] [ACD/IUPAC 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: 710.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 103.50
ACD/KOC (pH 5.5): 426.46
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1620.42
ACD/KOC (pH 7.4): 6676.91
Polar Surface Area: 119 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 492.9±3.0 cm3

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