ChemSpider 2D Image | N,N-Dimethyl-L-phenylalanyl-3-(1H-indol-1-yl)leucyl-L-isoleucine | C31H42N4O4

N,N-Dimethyl-L-phenylalanyl-3-(1H-indol-1-yl)leucyl-L-isoleucine

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID26368659

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

L-Isoleucine, N,N-dimethyl-L-phenylalanyl-3-(1H-indol-1-yl)leucyl- [ACD/Index Name]
N,N-Dimethyl-L-phenylalanyl-3-(1H-indol-1-yl)leucyl-L-isoleucin [German] [ACD/IUPAC Name]
N,N-Dimethyl-L-phenylalanyl-3-(1H-indol-1-yl)leucyl-L-isoleucine [ACD/IUPAC Name]
N,N-Diméthyl-L-phénylalanyl-3-(1H-indol-1-yl)leucyl-L-isoleucine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.05
ACD/KOC (pH 5.5): 18.50
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 7.07
Polar Surface Area: 104 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 460.2±7.0 cm3

Click to predict properties on the Chemicalize site


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