ChemSpider 2D Image | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE | C23H27N3O6

N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-α-ASPARAGINE

  • Molecular FormulaC23H27N3O6
  • Average mass441.477 Da
  • Monoisotopic mass441.189972 Da
  • ChemSpider ID26329689

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-α-Asparagine, N-[(1S)-1-carboxy-3-phenylpropyl]-D-phenylalanyl- [ACD/Index Name]
N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-α-ASPARAGINE
N-[(1S)-1-Carboxy-3-phenylpropyl]-D-phenylalanyl-D-α-asparagin [German] [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-3-phenylpropyl]-D-phenylalanyl-D-α-asparagine [ACD/IUPAC Name]
N-[(1S)-1-Carboxy-3-phénylpropyl]-D-phénylalanyl-D-α-asparagine [French] [ACD/IUPAC Name]
(2S)-2-{[(1R)-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}-2-phenylethyl]amino}-4-phenylbutanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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