ChemSpider 2D Image | 4-[(2R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid | C15H16Cl2N2O8

4-[(2R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid

  • Molecular FormulaC15H16Cl2N2O8
  • Average mass423.202 Da
  • Monoisotopic mass422.028381 Da
  • ChemSpider ID26355362

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-[(2R)-2-[(Dichloracetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[(2R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-[(2R)-2-[(2,2-dichloroacétyl)amino]-3-hydroxy-3-(4-nitrophényl)propoxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)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: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.86
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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