ChemSpider 2D Image | 2-Hydroxy-3-(palmitoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C37H66O5

2-Hydroxy-3-(palmitoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC37H66O5
  • Average mass590.917 Da
  • Monoisotopic mass590.491028 Da
  • ChemSpider ID35028129

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 2-hydroxy-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2-Hydroxy-3-(palmitoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
2-Hydroxy-3-(palmitoyloxy)propyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
1-Hexadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
1-Palmitoyl-3-g-linolenoyl-sn-glycerol
3-(hexadecanoyloxy)-2-hydroxypropyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
DAG(16:0/0:0/18:3)
DAG(16:0/0:0/18:3n6)
DAG(16:0/0:0/18:3w6)
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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: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 186.4±25.0 °C
Index of Refraction: 1.484
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.76
ACD/LogD (pH 5.5): 12.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 625.0±3.0 cm3

Click to predict properties on the Chemicalize site


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