ChemSpider 2D Image | 2-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl docosanoate | C45H82O5

2-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl docosanoate

  • Molecular FormulaC45H82O5
  • Average mass703.130 Da
  • Monoisotopic mass702.616211 Da
  • ChemSpider ID35028202

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl docosanoate [ACD/IUPAC Name]
2-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 2-hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-hydroxy-3-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]propyl ester [ACD/Index Name]
1-Behenoyl-3-homo-g-linolenoyl-sn-glycerol
1-Docosanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
2-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl docosanoate
DAG(22:0/0:0/20:3)
DAG(22:0/0:0/20:3n6)
DAG(22:0/0:0/20:3w6)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 735.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 198.4±23.6 °C
Index of Refraction: 1.482
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.94
ACD/LogD (pH 5.5): 16.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 757.0±3.0 cm3

Click to predict properties on the Chemicalize site


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