ChemSpider 2D Image | (1Z,9E)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenimidic acid | C36H69NO3

(1Z,9E)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenimidic acid

  • Molecular FormulaC36H69NO3
  • Average mass563.938 Da
  • Monoisotopic mass563.527771 Da
  • ChemSpider ID59697034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1Z,9E)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenimidic acid [ACD/IUPAC Name]
(1Z,9E)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-9-octadecenimidsäure [German] [ACD/IUPAC Name]
9-Octadecenimidic acid, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-, (1Z,9E)- [ACD/Index Name]
Acide (1Z,9E)-N-[(2S,3R,4E)-1,3-dihydroxy-4-octadécén-2-yl]-9-octadécénimidique [French] [ACD/IUPAC Name]
Ceramide (d18:1/9Z-18:1)
N-[(2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadec-9-enamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 678.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 469.7±23.5 °C
Index of Refraction: 1.485
Molar Refractivity: 173.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 14.99
ACD/LogD (pH 5.5): 12.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 34.2±7.0 dyne/cm
Molar Volume: 606.1±7.0 cm3

Click to predict properties on the Chemicalize site


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