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ChemSpider 2D Image | 2-Methyl-2-({3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propanoyl}amino)-1-propanesulfonic acid | C15H18F13NO4S2

2-Methyl-2-({3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propanoyl}amino)-1-propanesulfonic acid

  • Molecular FormulaC15H18F13NO4S2
  • Average mass587.417 Da
  • Monoisotopic mass587.046936 Da
  • ChemSpider ID58820632

More details:

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

1-Propanesulfonic acid, 2-methyl-2-[[1-oxo-3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]propyl]amino]- [ACD/Index Name]
2-Methyl-2-({3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoroctyl)sulfanyl]propanoyl}amino)-1-propansulfonsäure [German] [ACD/IUPAC Name]
2-Methyl-2-({3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propanoyl}amino)-1-propanesulfonic acid [ACD/IUPAC Name]
Acide 2-méthyl-2-({3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridécafluorooctyl)sulfanyl]propanoyl}amino)-1-propanesulfonique [French] [ACD/IUPAC Name]
62880-95-9 [RN]
FS SAMSA-6A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.408
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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