ChemSpider 2D Image | N-[(2S,3R,4E)-1,3-Dihydroxy-4-heptadecen-2-yl]octadecanamide | C35H69NO3

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

  • Molecular FormulaC35H69NO3
  • Average mass551.927 Da
  • Monoisotopic mass551.527771 Da
  • ChemSpider ID8160656

  • 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

N-[(2S,3R,4E)-1,3-Dihydroxy-4-heptadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-heptadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-4-heptadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-hexadecen-1-yl]- [ACD/Index Name]
123065-42-9 [RN]
C18 Ceramide (d17:1/18:0)
N-[(E,2S,3R)-1,3-Dihydroxyheptadec-4-en-2-yl]octadecanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 13.87
ACD/LogD (pH 5.5): 12.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 601.6±3.0 cm3

Click to predict properties on the Chemicalize site


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