ChemSpider 2D Image | (1S,8E)-1-[(2S)-3-Hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propoxy]-8-octadecen-1-ol | C39H78O5

(1S,8E)-1-[(2S)-3-Hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propoxy]-8-octadecen-1-ol

  • Molecular FormulaC39H78O5
  • Average mass627.034 Da
  • Monoisotopic mass626.584900 Da
  • ChemSpider ID35034977

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,8E)-1-[(2S)-3-Hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propoxy]-8-octadecen-1-ol [German] [ACD/IUPAC Name]
(1S,8E)-1-[(2S)-3-Hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propoxy]-8-octadecen-1-ol [ACD/IUPAC Name]
(1S,8E)-1-[(2S)-3-Hydroxy-2-{[(1S)-1-hydroxyoctadécyl]oxy}propoxy]-8-octadécén-1-ol [French] [ACD/IUPAC Name]
(1s,8e)-1-{[(2s)-3-Hydroxy-2-{[(1s)-1-Hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-En-1-Ol
8-Octadecen-1-ol, 1-[(2S)-3-hydroxy-2-[[(1S)-1-hydroxyoctadecyl]oxy]propoxy]-, (1S,8E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 675.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.5±31.5 °C
Index of Refraction: 1.479
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.61
ACD/LogD (pH 5.5): 13.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 672.3±3.0 cm3

Click to predict properties on the Chemicalize site


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