ChemSpider 2D Image | (2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C38H68O5

(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC38H68O5
  • Average mass604.943 Da
  • Monoisotopic mass604.506653 Da
  • ChemSpider ID24766177

  • 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-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (2S)-3-hydroxy-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (2S)-3-hydroxy-2-[(1-oxopentadecyl)oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-Homo-g-linolenoyl-2-pentadecanoyl-sn-glycerol
1-Homo-γ-linolenoyl-2-pentadecanoyl-sn-glycerol
DAG(20:3/15:0)
DAG(20:3n6/15:0)
DAG(20:3w6/15:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 660.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 185.1±22.2 °C
Index of Refraction: 1.483
Molar Refractivity: 183.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.22
ACD/LogD (pH 5.5): 12.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 641.5±3.0 cm3

Click to predict properties on the Chemicalize site


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