ChemSpider 2D Image | N-[(1R,3R)-Adamantan-1-ylcarbonyl]-O-(2-bromophenyl)-D-tyrosine | C26H28BrNO4

N-[(1R,3R)-Adamantan-1-ylcarbonyl]-O-(2-bromophenyl)-D-tyrosine

  • Molecular FormulaC26H28BrNO4
  • Average mass498.409 Da
  • Monoisotopic mass497.120178 Da
  • ChemSpider ID79715508

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

D-Tyrosine, O-(2-bromophenyl)-N-[(1R)-tricyclo[3.3.1.13,7]dec-1-ylcarbonyl]- [ACD/Index Name]
N-[(1R,3R)-Adamantan-1-ylcarbonyl]-O-(2-bromophenyl)-D-tyrosine [ACD/IUPAC Name]
N-[(1R,3R)-Adamantan-1-ylcarbonyl]-O-(2-bromophényl)-D-tyrosine [French] [ACD/IUPAC Name]
N-[(1R,3R)-Adamantan-1-ylcarbonyl]-O-(2-bromphenyl)-D-tyrosin [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.9±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 36.15
ACD/KOC (pH 5.5): 87.80
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 6.10
Polar Surface Area: 76 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

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