ChemSpider 2D Image | 2-Hydroxy-3-(icosanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate | C45H84O5

2-Hydroxy-3-(icosanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H84O5
  • Average mass705.146 Da
  • Monoisotopic mass704.631897 Da
  • ChemSpider ID35028181

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z)-13,16-Docosadiénoate de 2-hydroxy-3-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-hydroxy-3-[(1-oxoeicosyl)oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
2-Hydroxy-3-(icosanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
2-Hydroxy-3-(icosanoyloxy)propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
1-Arachidonyl-3-docosadienoyl-sn-glycerol
1-Eicosanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol
2-hydroxy-3-(icosanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate
DAG(20:0/0:0/22:2)
DAG(20:0/0:0/22:2n6)
DAG(20:0/0:0/22:2w6)
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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: 729.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 195.5±18.1 °C
Index of Refraction: 1.477
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.62
ACD/LogD (pH 5.5): 16.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.65
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: 35.3±3.0 dyne/cm
Molar Volume: 763.4±3.0 cm3

Click to predict properties on the Chemicalize site


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