ChemSpider 2D Image | 26-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]hexacosanamide | C44H89NO5

26-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]hexacosanamide

  • Molecular FormulaC44H89NO5
  • Average mass712.181 Da
  • Monoisotopic mass711.674072 Da
  • ChemSpider ID23106997

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

26-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
26-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
26-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]
Hexacosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-26-hydroxy- [ACD/Index Name]
26-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Cer(t18:0/26:0(2-OH))
cer3_26
ceramide-3 (phytosphingosine:N-C26:0OH)
ceramide-3 (phytosphingosine:N-C26:2OH)
ceramide-3 (phytosphingosine:NC26:omegaOH)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 818.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 215.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.87
ACD/LogD (pH 5.5): 13.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 751.9±3.0 cm3

Click to predict properties on the Chemicalize site


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