ChemSpider 2D Image | N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]docosanamide | C36H69NO3

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

  • Molecular FormulaC36H69NO3
  • Average mass563.938 Da
  • Monoisotopic mass563.527771 Da
  • ChemSpider ID8658404

  • 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

Docosanamide, 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]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tétradécadién-2-yl]docosanamide [French] [ACD/IUPAC Name]
(4E,6E,2S,3R)-2-N-docosanoyl-4,6-tetradecasphingadienine
Cer(d14:2(4E,6E)/22:0)
Cer[NS]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466170/
N-(docosanoyl)-4E,6E-tetradecasphingadienine
N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]docosanamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 701.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 13.88
ACD/LogD (pH 5.5): 12.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 611.7±3.0 cm3

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