ChemSpider 2D Image | Cyclo(L-alloisoleucyl-L-asparaginyl-L-leucyl-L-asparaginyl) | C20H34N6O6

Cyclo(L-alloisoleucyl-L-asparaginyl-L-leucyl-L-asparaginyl)

  • Molecular FormulaC20H34N6O6
  • Average mass454.521 Da
  • Monoisotopic mass454.253998 Da
  • ChemSpider ID40256875

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Cyclo(L-alloisoleucyl-L-asparaginyl-L-leucyl-L-asparaginyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alloisoleucyl-L-asparaginyl-L-leucyl-L-asparaginyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alloisoleucyl-L-asparaginyl-L-leucyl-L-asparaginyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
Staphylopeptide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 991.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 553.7±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 203 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 399.3±3.0 cm3

Click to predict properties on the Chemicalize site


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