ChemSpider 2D Image | C18 L-threo Ceramide (d18:1/18:0) | C36H71NO3

C18 L-threo Ceramide (d18:1/18:0)

  • Molecular FormulaC36H71NO3
  • Average mass565.954 Da
  • Monoisotopic mass565.543396 Da
  • ChemSpider ID57302171
  • 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

95037-06-2 [RN]
Acide N-[(2S,3S,4E)-1,3-dihydroxy-4-octadécén-2-yl]octadécanimidique [French] [ACD/IUPAC Name]
C18 L-threo Ceramide (d18:1/18:0)
N-[(2S,3S,4E)-1,3-Dihydroxy-4-octadecen-2-yl]octadecanimidic acid [ACD/IUPAC Name]
N-[(2S,3S,4E)-1,3-Dihydroxy-4-octadecen-2-yl]octadecanimidsäure [German] [ACD/IUPAC Name]
Octadecanimidic acid, N-[(1S,2S,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(1S,2S,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-octadecanamide
N-C18:0-L-THREO-CERAMIDE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 678.5±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: 470.0±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: 32
#Rule of 5 Violations: 2
ACD/LogP: 15.51
ACD/LogD (pH 5.5): 13.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.28
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

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