ChemSpider 2D Image | Ethyl N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl-N-propyl-beta-alaninate | C28H38N2O9S

Ethyl N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl-N-propyl-β-alaninate

  • Molecular FormulaC28H38N2O9S
  • Average mass578.674 Da
  • Monoisotopic mass578.229797 Da
  • ChemSpider ID121705678

More details:

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

Ethyl N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}tyrosyl-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-{3-[(3,4-Diméthoxyphényl)sulfonyl]propanoyl}tyrosyl-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]tyrosyl-N-propyl-, ethyl ester [ACD/Index 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: 825.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 452.8±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.70
ACD/KOC (pH 5.5): 634.21
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.49
ACD/KOC (pH 7.4): 631.95
Polar Surface Area: 157 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 467.1±3.0 cm3

Click to predict properties on the Chemicalize site


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