ChemSpider 2D Image | N-{[2,5-Dimethyl-3-(methylsulfonyl)phenyl]sulfonyl}-L-isoleucine | C15H23NO6S2

N-{[2,5-Dimethyl-3-(methylsulfonyl)phenyl]sulfonyl}-L-isoleucine

  • Molecular FormulaC15H23NO6S2
  • Average mass377.476 Da
  • Monoisotopic mass377.096680 Da
  • ChemSpider ID54274660

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Isoleucine, N-[[2,5-dimethyl-3-(methylsulfonyl)phenyl]sulfonyl]- [ACD/Index Name]
N-{[2,5-Dimethyl-3-(methylsulfonyl)phenyl]sulfonyl}-L-isoleucin [German] [ACD/IUPAC Name]
N-{[2,5-Dimethyl-3-(methylsulfonyl)phenyl]sulfonyl}-L-isoleucine [ACD/IUPAC Name]
N-{[2,5-Diméthyl-3-(méthylsulfonyl)phényl]sulfonyl}-L-isoleucine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.1±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement