ChemSpider 2D Image | N-[(2S)-2-Hydroxy-3-(4-methoxyphenyl)propanoyl]-N-methyl-L-valyl-N~2~-methyl-L-valinamide | C22H35N3O5

N-[(2S)-2-Hydroxy-3-(4-methoxyphenyl)propanoyl]-N-methyl-L-valyl-N2-methyl-L-valinamide

  • Molecular FormulaC22H35N3O5
  • Average mass421.530 Da
  • Monoisotopic mass421.257660 Da
  • ChemSpider ID40256831

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-1-oxopropyl]-N-methyl-L-valyl-N2-methyl- [ACD/Index Name]
N-[(2S)-2-Hydroxy-3-(4-methoxyphenyl)propanoyl]-N-methyl-L-valyl-N2-methyl-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Hydroxy-3-(4-methoxyphenyl)propanoyl]-N-methyl-L-valyl-N2-methyl-L-valinamide [ACD/IUPAC Name]
N-[(2S)-2-Hydroxy-3-(4-méthoxyphényl)propanoyl]-N-méthyl-L-valyl-N2-méthyl-L-valinamide [French] [ACD/IUPAC 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: 623.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.75
ACD/KOC (pH 5.5): 150.75
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 150.75
Polar Surface Area: 113 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 369.8±3.0 cm3

Click to predict properties on the Chemicalize site


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