ChemSpider 2D Image | N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-24-hydroxytetracosanamide | C42H85NO4

N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-24-hydroxytetracosanamide

  • Molecular FormulaC42H85NO4
  • Average mass668.129 Da
  • Monoisotopic mass667.647888 Da
  • ChemSpider ID23106994

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-24-hydroxytetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-24-hydroxytetracosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]-24-hydroxytétracosanamide [French] [ACD/IUPAC Name]
Tetracosanamide, 24-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
Cer(d18:0/h24:0)
Cer[OdS]
cer2'_24
ceramide-2' (sphinganine:N-C24:0OH)
ceramide-2' (sphinganine:N-C24:2OH)
ceramide-2' (sphinganine:NC24: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: 777.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.0±6.0 kJ/mol
Flash Point: 424.1±30.1 °C
Index of Refraction: 1.480
Molar Refractivity: 204.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 15.71
ACD/LogD (pH 5.5): 13.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 721.0±3.0 cm3

Click to predict properties on the Chemicalize site


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