ChemSpider 2D Image | 2-[Hexadecyl(1-methoxy-1-oxo-2-propanyl)amino]benzenesulfonic acid | C26H45NO5S

2-[Hexadecyl(1-methoxy-1-oxo-2-propanyl)amino]benzenesulfonic acid

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID103531495

More details:

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

2-[Hexadecyl(1-methoxy-1-oxo-2-propanyl)amino]benzenesulfonic acid [ACD/IUPAC Name]
2-[Hexadecyl(1-methoxy-1-oxo-2-propanyl)amino]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[hexadécyl(1-méthoxy-1-oxo-2-propanyl)amino]benzènesulfonique [French] [ACD/IUPAC Name]
Alanine, N-hexadecyl-N-(2-sulfophenyl)-, methyl 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: 1.512
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 97.96
ACD/KOC (pH 5.5): 96.05
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 90.12
ACD/KOC (pH 7.4): 88.36
Polar Surface Area: 92 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 451.2±3.0 cm3

Click to predict properties on the Chemicalize site


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