ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate | C41H66O5

(2S)-3-Hydroxy-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate

  • Molecular FormulaC41H66O5
  • Average mass638.960 Da
  • Monoisotopic mass638.491028 Da
  • ChemSpider ID59697622

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl (8E,11E,14E)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyl-(8E,11E,14E)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8E,11E,14E)-8,11,14-Icosatriénoate de (2S)-3-hydroxy-2-[(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (2S)-3-hydroxy-2-[[(6E,9E,12E,15E)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester, (8E,11E,14E)- [ACD/Index Name]
(2S)-3-hydroxy-2-(octadeca-6,9,12,15-tetraenoyloxy)propyl icosa-8,11,14-trienoate
DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 191.5±25.0 °C
Index of Refraction: 1.505
Molar Refractivity: 197.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.49
ACD/LogD (pH 5.5): 11.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 665.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement