ChemSpider 2D Image | cyclo(dehydrophenylalanyl-L-leucyl) | C15H18N2O2

cyclo(dehydrophenylalanyl-L-leucyl)

  • Molecular FormulaC15H18N2O2
  • Average mass258.316 Da
  • Monoisotopic mass258.136841 Da
  • ChemSpider ID24725401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z,6S)-3-Benzyliden-6-isobutyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z,6S)-3-Benzylidene-6-isobutyl-2,5-piperazinedione [ACD/IUPAC Name]
(3Z,6S)-3-Benzylidène-6-isobutyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-(2-methylpropyl)-6-(phenylmethylene)-, (3S,6Z)- [ACD/Index Name]
cyclo(dehydrophenylalanyl-L-leucyl)
(3Z,6S)-3-benzylidene-6-isobutylpiperazine-2,5-dione
cyclo(L-leucyl-dehydrophenylalanyl)
cyclo(L-Leu-δPhe)
cyclo(δPhe-L-Leu)
cyclo[(Z)-α,β-didehydrophenylalanyl-L-leucyl]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 223.0±30.3 °C
Index of Refraction: 1.561
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.08
ACD/KOC (pH 5.5): 219.23
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.08
ACD/KOC (pH 7.4): 219.21
Polar Surface Area: 58 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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