ChemSpider 2D Image | 2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate | C41H76O5

2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID35028297
  • Double-bond stereo - Double-bond stereo


More details:






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

(11Z)-11-Icosénoate de 2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
1-(9Z-Octadecenoyl)-3-(11-eicosenoyl)-sn-glycerol
1-Oleoyl-3-eicosenoyl-sn-glycerol
2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-icos-11-enoate
DAG(18:1/0:0/20:1)
DAG(18:1n9/0:0/20:1n9)
DAG(18:1w9/0:0/20:1w9)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 694.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 191.0±16.7 °C
Index of Refraction: 1.477
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 14.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 697.4±3.0 cm3

Click to predict properties on the Chemicalize site






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