ChemSpider 2D Image | N-[(2S,3R,4E)-1,3-Dihydroxy(1,2-~13~C_2_,1,1-~2~H_2_)-4-octadecen-2-yl]octadecanamide | C3413C2H69D2NO3


  • Molecular FormulaC3413C2H69D2NO3
  • Average mass569.951 Da
  • Monoisotopic mass569.562683 Da
  • ChemSpider ID58781798
  • 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(1,2-13C2,1,1-2H2)-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy(1,2-13C2,1,1-2H2)-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy(1,2-13C2,1,1-2H2)-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl-13C-d2)-3-heptadecen-1-yl-1-13C]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.480
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 618.1±3.0 cm3

Click to predict properties on the Chemicalize site