ChemSpider 2D Image | N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-14-methylheptadecanamide | C36H69NO3

N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-14-methylheptadecanamide

  • Molecular FormulaC36H69NO3
  • Average mass563.938 Da
  • Monoisotopic mass563.527771 Da
  • ChemSpider ID9505440

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Heptadecanamide, N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl]-14-methyl- [ACD/Index Name]
N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-14-methylheptadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadecadien-2-yl]-14-methylheptadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E,8E)-1,3-Dihydroxy-4,8-octadécadién-2-yl]-14-méthylheptadécanamide [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 691.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.485
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.57
ACD/LogD (pH 5.5): 11.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 612.1±3.0 cm3

Click to predict properties on the Chemicalize site


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