ChemSpider 2D Image | (2S)-1-[(2S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N~2~-acetyl-L-asparaginate | C28H50N2O6

(2S)-1-[(2S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N2-acetyl-L-asparaginate

  • Molecular FormulaC28H50N2O6
  • Average mass510.706 Da
  • Monoisotopic mass510.366882 Da
  • ChemSpider ID8068234

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S)-1-[(2S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl N2-acetyl-L-asparaginate [ACD/IUPAC Name]
(2S)-1-[(2S)-3-Hexyl-4-oxo-2-oxetanyl]-2-tridecanyl-N2-acetyl-L-asparaginat [German] [ACD/IUPAC Name]
L-Asparagine, N2-acetyl-, (1S)-1-[[(2S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester [ACD/Index Name]
N2-Acétyl-L-asparaginate de (2S)-1-[(2S)-3-hexyl-4-oxo-2-oxétanyl]-2-tridécanyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 690.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±28.7 °C
Index of Refraction: 1.483
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65609.18
ACD/KOC (pH 5.5): 97625.65
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65609.26
ACD/KOC (pH 7.4): 97625.76
Polar Surface Area: 125 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 491.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement