ChemSpider 2D Image | N-(3-Hydroxy-9-methyldecanoyl)-D-phenylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl-L-tyrosine | C46H67N7O12

N-(3-Hydroxy-9-methyldecanoyl)-D-phenylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl-L-tyrosine

  • Molecular FormulaC46H67N7O12
  • Average mass910.064 Da
  • Monoisotopic mass909.484741 Da
  • ChemSpider ID9018731

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

L-Tyrosine, N-(3-hydroxy-9-methyl-1-oxodecyl)-D-phenylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl- [ACD/Index Name]
N-(3-Hydroxy-9-methyldecanoyl)-D-phenylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl-L-tyrosin [German] [ACD/IUPAC Name]
N-(3-Hydroxy-9-methyldecanoyl)-D-phenylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl-L-tyrosine [ACD/IUPAC Name]
N-(3-Hydroxy-9-méthyldecanoyl)-D-phénylalanyl-(4R)-4-hydroxy-L-prolyl-D-alanyl-L-valyl-D-asparaginyl-L-tyrosine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1285.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 201.6±3.0 kJ/mol
Flash Point: 731.1±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 237.8±0.3 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 716.8±3.0 cm3

Click to predict properties on the Chemicalize site


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