ChemSpider 2D Image | Methyl N-acetyl-L-alloisoleucyl-N-methyl-D-tyrosyl-L-leucinate | C25H39N3O6

Methyl N-acetyl-L-alloisoleucyl-N-methyl-D-tyrosyl-L-leucinate

  • Molecular FormulaC25H39N3O6
  • Average mass477.594 Da
  • Monoisotopic mass477.283875 Da
  • ChemSpider ID58196800

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucine, N-acetyl-L-alloisoleucyl-N-methyl-D-tyrosyl-, methyl ester [ACD/Index Name]
Methyl N-acetyl-L-alloisoleucyl-N-methyl-D-tyrosyl-L-leucinate [ACD/IUPAC Name]
Methyl-N-acetyl-L-alloisoleucyl-N-methyl-D-tyrosyl-L-leucinat [German] [ACD/IUPAC Name]
N-Acétyl-L-alloisoleucyl-N-méthyl-D-tyrosyl-L-leucinate de méthyle [French] [ACD/IUPAC Name]
Simplicilliumtide E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.41
ACD/KOC (pH 5.5): 290.76
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.32
ACD/KOC (pH 7.4): 289.49
Polar Surface Area: 125 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 422.9±3.0 cm3

Click to predict properties on the Chemicalize site


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