ChemSpider 2D Image | 3-(2-{2-[2-(2-Pyridinyldisulfanyl)ethoxy]ethoxy}ethoxy)propanoic acid | C14H21NO5S2

3-(2-{2-[2-(2-Pyridinyldisulfanyl)ethoxy]ethoxy}ethoxy)propanoic acid

  • Molecular FormulaC14H21NO5S2
  • Average mass347.450 Da
  • Monoisotopic mass347.086121 Da
  • ChemSpider ID111336059

More details:

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

3-(2-{2-[2-(2-Pyridinyldisulfanyl)ethoxy]ethoxy}ethoxy)propanoic acid [ACD/IUPAC Name]
3-(2-{2-[2-(2-Pyridinyldisulfanyl)ethoxy]ethoxy}ethoxy)propansäure [German] [ACD/IUPAC Name]
Acide 3-(2-{2-[2-(2-pyridinyldisulfanyl)éthoxy]éthoxy}éthoxy)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[2-[2-[2-(2-pyridinyldithio)ethoxy]ethoxy]ethoxy]- [ACD/Index Name]
2088570-69-6 [RN]
3-(2-(2-(2-(pyridin-2-yldisulfanyl)ethoxy)ethoxy)ethoxy)propanoic acid
3-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]propanoic acid
Acid-PEG3-SSPy

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.6±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.16
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

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