ChemSpider 2D Image | 4-[(3-Ethoxy-3-oxopropanoyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid | C28H45NO7S

4-[(3-Ethoxy-3-oxopropanoyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid

  • Molecular FormulaC28H45NO7S
  • Average mass539.724 Da
  • Monoisotopic mass539.291687 Da
  • ChemSpider ID102618693

More details:

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

4-[(3-Ethoxy-3-oxopropanoyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid [ACD/IUPAC Name]
4-[(3-Ethoxy-3-oxopropanoyl)(palmitoyl)amino]-2-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 4-[(3-éthoxy-3-oxopropanoyl)(palmitoyl)amino]-2-méthylbenzènesulfonique [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(3-methyl-4-sulfophenyl)(1-oxohexadecyl)amino]-3-oxo-, 1-ethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 80.56
ACD/KOC (pH 5.5): 81.59
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 80.30
ACD/KOC (pH 7.4): 81.33
Polar Surface Area: 126 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 477.8±3.0 cm3

Click to predict properties on the Chemicalize site


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