ChemSpider 2D Image | {[2-({[(2R,3R)-2-(4-Chloro-3-fluorophenyl)tetrahydro-3-furanyl]carbonyl}amino)ethyl]sulfanyl}acetic acid | C15H17ClFNO4S

{[2-({[(2R,3R)-2-(4-Chloro-3-fluorophenyl)tetrahydro-3-furanyl]carbonyl}amino)ethyl]sulfanyl}acetic acid

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID57799882

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{[2-({[(2R,3R)-2-(4-Chlor-3-fluorphenyl)tetrahydro-3-furanyl]carbonyl}amino)ethyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
{[2-({[(2R,3R)-2-(4-Chloro-3-fluorophenyl)tetrahydro-3-furanyl]carbonyl}amino)ethyl]sulfanyl}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[[(2R,3R)-2-(4-chloro-3-fluorophenyl)tetrahydro-3-furanyl]carbonyl]amino]ethyl]thio]- [ACD/Index Name]
Acide {[2-({[(2R,3R)-2-(4-chloro-3-fluorophényl)tétrahydro-3-furanyl]carbonyl}amino)éthyl]sulfanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.42
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

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