ChemSpider 2D Image | 4-[(4-Ethoxy-2,4-dioxobutyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid | C29H47NO7S

4-[(4-Ethoxy-2,4-dioxobutyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid

  • Molecular FormulaC29H47NO7S
  • Average mass553.751 Da
  • Monoisotopic mass553.307312 Da
  • ChemSpider ID102619617

More details:

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

4-[(4-Ethoxy-2,4-dioxobutyl)(palmitoyl)amino]-2-methylbenzenesulfonic acid [ACD/IUPAC Name]
4-[(4-Ethoxy-2,4-dioxobutyl)(palmitoyl)amino]-2-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 4-[(4-éthoxy-2,4-dioxobutyl)(palmitoyl)amino]-2-méthylbenzènesulfonique [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(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: 1.517
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 34.97
ACD/KOC (pH 5.5): 44.91
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 34.65
ACD/KOC (pH 7.4): 44.50
Polar Surface Area: 126 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 494.3±3.0 cm3

Click to predict properties on the Chemicalize site


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