ChemSpider 2D Image | Ethyl O-acetyl-N-{3-[(3-chlorophenyl)sulfonyl]propanoyl}tyrosyl-N-methyl-beta-alaninate | C26H31ClN2O8S

Ethyl O-acetyl-N-{3-[(3-chlorophenyl)sulfonyl]propanoyl}tyrosyl-N-methyl-β-alaninate

  • Molecular FormulaC26H31ClN2O8S
  • Average mass567.051 Da
  • Monoisotopic mass566.148987 Da
  • ChemSpider ID121716509

More details:

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

Ethyl O-acetyl-N-{3-[(3-chlorophenyl)sulfonyl]propanoyl}tyrosyl-N-methyl-β-alaninate [ACD/IUPAC Name]
Ethyl-O-acetyl-N-{3-[(3-chlorphenyl)sulfonyl]propanoyl}tyrosyl-N-methyl-β-alaninat [German] [ACD/IUPAC Name]
O-Acétyl-N-{3-[(3-chlorophényl)sulfonyl]propanoyl}tyrosyl-N-méthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, O-acetyl-N-[3-[(3-chlorophenyl)sulfonyl]-1-oxopropyl]tyrosyl-N-methyl-, ethyl ester [ACD/Index 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: 795.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 434.7±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.53
ACD/KOC (pH 5.5): 694.72
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.53
ACD/KOC (pH 7.4): 694.72
Polar Surface Area: 145 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement