ChemSpider 2D Image | Propyl (betaR)-N-(dichloroacetyl)-beta-hydroxy-4-nitro-beta-tridecyl-D-phenylalaninate | C27H42Cl2N2O6

Propyl (βR)-N-(dichloroacetyl)-β-hydroxy-4-nitro-β-tridecyl-D-phenylalaninate

  • Molecular FormulaC27H42Cl2N2O6
  • Average mass561.538 Da
  • Monoisotopic mass560.242004 Da
  • ChemSpider ID114547121

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(βR)-N-(2,2-Dichloroacétyl)-β-hydroxy-4-nitro-β-tridécyl-D-phénylalaninate de propyle [French] [ACD/IUPAC Name]
D-Phenylalanine, N-(2,2-dichloroacetyl)-β-hydroxy-4-nitro-β-tridecyl-, propyl ester, (βR)- [ACD/Index Name]
Propyl (βR)-N-(dichloroacetyl)-β-hydroxy-4-nitro-β-tridecyl-D-phenylalaninate [ACD/IUPAC Name]
Propyl-(βR)-N-(dichloracetyl)-β-hydroxy-4-nitro-β-tridecyl-D-phenylalaninat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1482931.63
ACD/LogD (pH 7.4): 8.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1481089.63
Polar Surface Area: 121 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 479.0±3.0 cm3

Click to predict properties on the Chemicalize site


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