ChemSpider 2D Image | Benzyl N-trityl-L-tyrosinate | C35H31NO3

Benzyl N-trityl-L-tyrosinate

  • Molecular FormulaC35H31NO3
  • Average mass513.625 Da
  • Monoisotopic mass513.230408 Da
  • ChemSpider ID30656747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzyl N-trityl-L-tyrosinate [ACD/IUPAC Name]
Benzyl-N-trityl-L-tyrosinat [German] [ACD/IUPAC Name]
L-Tyrosine, N-(triphenylmethyl)-, phenylmethyl ester [ACD/Index Name]
N-Trityl-L-tyrosinate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.93
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 442401.22
ACD/KOC (pH 5.5): 375886.34
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 468812.34
ACD/KOC (pH 7.4): 398326.56
Polar Surface Area: 59 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 431.3±3.0 cm3

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