ChemSpider 2D Image | (2R,3S)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate | C14H18Cl2N2O6S

(2R,3S)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate

  • Molecular FormulaC14H18Cl2N2O6S
  • Average mass413.273 Da
  • Monoisotopic mass412.026276 Da
  • ChemSpider ID26391680

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-[(Dichloracetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propylglycinat [German] [ACD/IUPAC Name]
(2R,3S)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate [ACD/IUPAC Name]
Glycinate de (2R,3S)-2-[(2,2-dichloroacétyl)amino]-3-hydroxy-3-[4-(méthylsulfonyl)phényl]propyle [French] [ACD/IUPAC Name]
Glycine, (2R,3S)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 672.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.40
Polar Surface Area: 144 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

Click to predict properties on the Chemicalize site


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