ChemSpider 2D Image | N-{2-[(2S)-2-Amino-3-phenylpropoxy]-4-chlorobenzoyl}-L-valyl-L-histidine | C27H32ClN5O5

N-{2-[(2S)-2-Amino-3-phenylpropoxy]-4-chlorobenzoyl}-L-valyl-L-histidine

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID114752747

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Histidine, N-[2-[(2S)-2-amino-3-phenylpropoxy]-4-chlorobenzoyl]-L-valyl- [ACD/Index Name]
N-{2-[(2S)-2-Amino-3-phenylpropoxy]-4-chlorbenzoyl}-L-valyl-L-histidin [German] [ACD/IUPAC Name]
N-{2-[(2S)-2-Amino-3-phenylpropoxy]-4-chlorobenzoyl}-L-valyl-L-histidine [ACD/IUPAC Name]
N-{2-[(2S)-2-Amino-3-phénylpropoxy]-4-chlorobenzoyl}-L-valyl-L-histidine [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: 868.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 479.2±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 413.0±3.0 cm3

Click to predict properties on the Chemicalize site


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