ChemSpider 2D Image | N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-26-hydroxyhexacosanamide | C44H89NO4

N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-26-hydroxyhexacosanamide

  • Molecular FormulaC44H89NO4
  • Average mass696.182 Da
  • Monoisotopic mass695.679138 Da
  • ChemSpider ID23106995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Hexacosanamide, 26-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-26-hydroxyhexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-26-hydroxyhexacosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]-26-hydroxyhexacosanamide [French] [ACD/IUPAC Name]
26-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]hexacosanamide
Cer(d18:0/h26:0)
Cer[OdS]
cer2'_26
ceramide-2' (sphinganine:N-C26:0OH)
ceramide-2' (sphinganine:N-C26:2OH)
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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: 794.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.5±30.1 °C
Index of Refraction: 1.480
Molar Refractivity: 214.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 16.77
ACD/LogD (pH 5.5): 14.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 754.0±3.0 cm3

Click to predict properties on the Chemicalize site


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