ChemSpider 2D Image | N-[(2S,3R,4E)-1,3-Dihydroxy(1,1-~2~H_2_)-4-octadecen-2-yl]octadecanamide | C36H69D2NO3

N-[(2S,3R,4E)-1,3-Dihydroxy(1,1-2H2)-4-octadecen-2-yl]octadecanamide

  • Molecular FormulaC36H69D2NO3
  • Average mass567.966 Da
  • Monoisotopic mass567.555969 Da
  • ChemSpider ID82825511
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

N-[(2S,3R,4E)-1,3-Dihydroxy(1,1-2H2)-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy(1,1-2H2)-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy(1,1-2H2)-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl-d2)-3-heptadecen-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 694.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 373.8±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 14.40
ACD/LogD (pH 5.5): 13.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.35
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: 35.9±3.0 dyne/cm
Molar Volume: 618.1±3.0 cm3

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