ChemSpider 2D Image | MFCD01632747 | C26H53NO2

MFCD01632747

  • Molecular FormulaC26H53NO2
  • Average mass411.704 Da
  • Monoisotopic mass411.407623 Da
  • ChemSpider ID21509474

  • 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

(2S,3R,4E)-2-(Octylamino)-4-octadecen-1,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E)-2-(Octylamino)-4-octadecene-1,3-diol [ACD/IUPAC Name]
(2S,3R,4E)-2-(Octylamino)-4-octadécène-1,3-diol [French] [ACD/IUPAC Name]
170926-06-4 [RN]
4-Octadecene-1,3-diol, 2-(octylamino)-, (2S,3R,4E)- [ACD/Index Name]
C8 Ceramine (d18:1/8:0)
D-erythro-C8 ceramine
D-Erythro-ceramine C8
MFCD01632747
N-Octyl-D-sphingosine
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 532.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±6.0 kJ/mol
    Flash Point: 7.4±20.7 °C
    Index of Refraction: 1.478
    Molar Refractivity: 129.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 1
    ACD/LogP: 10.57
    ACD/LogD (pH 5.5): 6.94
    ACD/BCF (pH 5.5): 21726.27
    ACD/KOC (pH 5.5): 6471.12
    ACD/LogD (pH 7.4): 8.33
    ACD/BCF (pH 7.4): 537455.38
    ACD/KOC (pH 7.4): 160079.67
    Polar Surface Area: 52 Å2
    Polarizability: 51.2±0.5 10-24cm3
    Surface Tension: 35.1±3.0 dyne/cm
    Molar Volume: 455.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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