ChemSpider 2D Image | Ethyl 2-amino-5-({1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-(hexylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoate | C26H41N3O6S

Ethyl 2-amino-5-({1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-(hexylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID8657307

More details:

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

2-Amino-5-({1-[(2-éthoxy-2-oxo-1-phényléthyl)amino]-3-(hexylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-amino-5-({1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-(hexylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-2-amino-5-({1-[(2-ethoxy-2-oxo-1-phenylethyl)amino]-3-(hexylsulfanyl)-1-oxo-2-propanyl}amino)-5-oxopentanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 26.17
ACD/KOC (pH 5.5): 127.94
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 673.70
ACD/KOC (pH 7.4): 3293.72
Polar Surface Area: 162 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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