ChemSpider 2D Image | N-[(1R)-1-Carboxy-3-(~2~H_5_)phenylpropyl]-L-alanyl-D-proline | C18H19D5N2O5

N-[(1R)-1-Carboxy-3-(2H5)phenylpropyl]-L-alanyl-D-proline

  • Molecular FormulaC18H19D5N2O5
  • Average mass353.424 Da
  • Monoisotopic mass353.199921 Da
  • ChemSpider ID114814726

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Proline, N-[(1R)-1-carboxy-3-(phenyl-d5)propyl]-L-alanyl- [ACD/Index Name]
N-[(1R)-1-Carboxy-3-(2H5)phenylpropyl]-L-alanyl-D-prolin [German] [ACD/IUPAC Name]
N-[(1R)-1-Carboxy-3-(2H5)phenylpropyl]-L-alanyl-D-proline [ACD/IUPAC Name]
N-[(1R)-1-Carboxy-3-(2H5)phénylpropyl]-L-alanyl-D-proline [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: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 270.7±3.0 cm3

Click to predict properties on the Chemicalize site


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