ChemSpider 2D Image | 4-Nitrophenyl N-tridecanoylglycylphenylalaninate | C30H41N3O6

4-Nitrophenyl N-tridecanoylglycylphenylalaninate

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID343325

More details:

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

4-Nitrophenyl N-tridecanoylglycylphenylalaninate [ACD/IUPAC Name]
4-NitrophenylN-tridecanoylglycylphenylalaninat [German] [ACD/IUPAC Name]
N-Tridecanoylglycylphénylalaninate de 4-nitrophényle [French] [ACD/IUPAC Name]
Phenylalanine, N-(1-oxotridecyl)glycyl-, 4-nitrophenyl ester [ACD/Index Name]

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

AIDS148549 [DBID]
AIDS-148549 [DBID]
NCI60_028945 [DBID]
NSC681119 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 767.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 595507.31
ACD/KOC (pH 5.5): 473407.66
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 595504.69
ACD/KOC (pH 7.4): 473405.56
Polar Surface Area: 130 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 476.0±3.0 cm3

Click to predict properties on the Chemicalize site


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