ChemSpider 2D Image | (1s,8e,1'r,8'z)-1,1'-{[(2s)-3-Hydroxypropane-1,2-Diyl]bis(Oxy)}bisoctadec-8-En-1-Ol | C39H76O5

(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-Hydroxypropane-1,2-Diyl]bis(Oxy)}bisoctadec-8-En-1-Ol

  • Molecular FormulaC39H76O5
  • Average mass625.018 Da
  • Monoisotopic mass624.569275 Da
  • ChemSpider ID35035318

  • 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'R,8'Z)-1,1'-{[(2S)-3-Hydroxy-1,2-propandiyl]bis(oxy)}bis(8-octadecen-1-ol) [German] [ACD/IUPAC Name]
(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-Hydroxy-1,2-propanediyl]bis(oxy)}bis(8-octadecen-1-ol) [ACD/IUPAC Name]
(1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-Hydroxy-1,2-propanediyl]bis(oxy)}bis(8-octadécén-1-ol) [French] [ACD/IUPAC Name]
(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-Hydroxypropane-1,2-Diyl]bis(Oxy)}bisoctadec-8-En-1-Ol
8-Octadecen-1-ol, 1-[(1S)-2-hydroxy-1-[[[(1R,8Z)-1-hydroxy-8-octadecen-1-yl]oxy]methyl]ethoxy]-, (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: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 367.2±31.5 °C
Index of Refraction: 1.485
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.10
ACD/LogD (pH 5.5): 13.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.53
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: 36.8±3.0 dyne/cm
Molar Volume: 665.9±3.0 cm3

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