ChemSpider 2D Image | Allyl 1-{[(2R,3S)-3-phenyl-2-oxiranyl]carbonyl}-L-prolyl-L-leucyl-L-isoleucinate | C29H41N3O6

Allyl 1-{[(2R,3S)-3-phenyl-2-oxiranyl]carbonyl}-L-prolyl-L-leucyl-L-isoleucinate

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID9908842

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-{[(2R,3S)-3-Phényl-2-oxiranyl]carbonyl}-L-prolyl-L-leucyl-L-isoleucinate d'allyle [French] [ACD/IUPAC Name]
Allyl 1-{[(2R,3S)-3-phenyl-2-oxiranyl]carbonyl}-L-prolyl-L-leucyl-L-isoleucinate [ACD/IUPAC Name]
Allyl-1-{[(2R,3S)-3-phenyl-2-oxiranyl]carbonyl}-L-prolyl-L-leucyl-L-isoleucinat [German] [ACD/IUPAC Name]
L-Isoleucine, 1-[[(2R,3S)-3-phenyloxiranyl]carbonyl]-L-prolyl-L-leucyl-, 2-propen-1-yl ester [ACD/Index 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: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.10
ACD/KOC (pH 5.5): 1483.42
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.10
ACD/KOC (pH 7.4): 1483.41
Polar Surface Area: 117 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 452.7±3.0 cm3

Click to predict properties on the Chemicalize site


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