ChemSpider 2D Image | 4-{(2S)-1-[(Methylsulfonyl)amino]-1-oxo-2-propanyl}phenyl trifluoromethanesulfonate | C11H12F3NO6S2

4-{(2S)-1-[(Methylsulfonyl)amino]-1-oxo-2-propanyl}phenyl trifluoromethanesulfonate

  • Molecular FormulaC11H12F3NO6S2
  • Average mass375.341 Da
  • Monoisotopic mass375.005798 Da
  • ChemSpider ID28500659

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{(2S)-1-[(Methylsulfonyl)amino]-1-oxo-2-propanyl}phenyl trifluoromethanesulfonate [ACD/IUPAC Name]
4-{(2S)-1-[(Methylsulfonyl)amino]-1-oxo-2-propanyl}phenyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(1S)-1-methyl-2-[(methylsulfonyl)amino]-2-oxoethyl]phenyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 4-{(2S)-1-[(méthylsulfonyl)amino]-1-oxo-2-propanyl}phényle [French] [ACD/IUPAC Name]
1330128-70-5 [RN]
4-[(1S)-1-(methanesulfonylcarbamoyl)ethyl]phenyl trifluoromethanesulfonate
MFCD32066912

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: 1.512
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.42
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 123 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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