ChemSpider 2D Image | Methyl N-[(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-D-phenylalaninate | C21H20N2O5

Methyl N-[(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-D-phenylalaninate

  • Molecular FormulaC21H20N2O5
  • Average mass380.394 Da
  • Monoisotopic mass380.137207 Da
  • ChemSpider ID24731571

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Phenylalanine, N-[(2R)-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl N-[(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-D-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-D-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2R)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-D-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.67
ACD/KOC (pH 5.5): 602.23
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.67
ACD/KOC (pH 7.4): 602.23
Polar Surface Area: 93 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site


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