ChemSpider 2D Image | Methyl L-cysteinyl-L-valyl-O-octanoyl-L-tyrosinate | C26H41N3O6S

Methyl L-cysteinyl-L-valyl-O-octanoyl-L-tyrosinate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID23137631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Cystéinyl-L-valyl-O-octanoyl-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]
L-Tyrosine, L-cysteinyl-L-valyl-O-(1-oxooctyl)-, methyl ester [ACD/Index Name]
Methyl L-cysteinyl-L-valyl-O-octanoyl-L-tyrosinate [ACD/IUPAC Name]
Methyl-L-cysteinyl-L-valyl-O-octanoyl-L-tyrosinat [German] [ACD/IUPAC Name]
CHEMBL40990
Octanoic acid 4-{(S)-2-[(S)-2-((R)-2-amino-3-mercapto-propionylamino)-3-methyl-butyrylamino]-2-methoxycarbonyl-ethyl}-phenyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 271.67
ACD/KOC (pH 5.5): 1128.87
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1630.10
ACD/KOC (pH 7.4): 6773.69
Polar Surface Area: 176 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

Click to predict properties on the Chemicalize site


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