ChemSpider 2D Image | N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]icosanamide | C34H65NO3

N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]icosanamide

  • Molecular FormulaC34H65NO3
  • Average mass535.885 Da
  • Monoisotopic mass535.496460 Da
  • ChemSpider ID8545354

  • 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

Eicosanamide, N-[(1S,2R,3E,5E)-2-hydroxy-1-(hydroxymethyl)-3,5-tridecadien-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]icosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]icosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tétradécadién-2-yl]icosanamide [French] [ACD/IUPAC Name]
(4E,6E,2S,3R)-2-N-eicosanoyl-4,6-tetradecasphingadienine
Cer(d14:2(4E,6E)/20:0)
Cer[NS]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461612/
N-(eicosanoyl)-4E,6E-tetradecasphingadienine
N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]icosanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.487
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 11.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 578.7±3.0 cm3

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