ChemSpider 2D Image | Cyclo[L-alpha-aspartyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-methyltetradecanoyl)-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl] | C53H93N7O13

Cyclo[L-α-aspartyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-methyltetradecanoyl)-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl]

  • Molecular FormulaC53H93N7O13
  • Average mass1036.345 Da
  • Monoisotopic mass1035.683105 Da
  • ChemSpider ID71354318

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

Cyclo[L-α-asparagyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-methyltetradecanoyl)-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl] [German] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-methyl-1-oxotetradecyl)-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl] [ACD/Index Name]
Cyclo[L-α-aspartyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-methyltetradecanoyl)-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-D-leucyl-L-leucyl-(3S)-3-hydroxy-N-(13-méthyltetradecanoyl)-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl] [French] [ACD/IUPAC Name]
24730-31-2 [RN]
Cyclo(L-α-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-α-glutamyl-L-leucyl-D-leucyl-L-valyl)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1232.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 206.9±6.0 kJ/mol
Flash Point: 699.1±34.3 °C
Index of Refraction: 1.476
Molar Refractivity: 274.4±0.3 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 14.29
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability: 108.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


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