ChemSpider 2D Image | (2S)-3-Hydroxy-2-(icosanoyloxy)propyl (11Z)-11-icosenoate | C43H82O5

(2S)-3-Hydroxy-2-(icosanoyloxy)propyl (11Z)-11-icosenoate

  • Molecular FormulaC43H82O5
  • Average mass679.108 Da
  • Monoisotopic mass678.616211 Da
  • ChemSpider ID24766121
  • 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

(11Z)-11-Icosénoate de (2S)-3-hydroxy-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(icosanoyloxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(icosanoyloxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2S)-3-hydroxy-2-[(1-oxoeicosyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-(icosanoyloxy)propyl (11Z)-icos-11-enoate
1-Eicosenoyl-2-arachidonyl-sn-glycerol
DAG(20:1/20:0)
DAG(20:1n9/20:0)
DAG(20:1w9/20:0)
DAG(40:1)
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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

Density: 0.9±0.1 g/cm3
Boiling Point: 701.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 188.7±17.2 °C
Index of Refraction: 1.472
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 18.08
ACD/LogD (pH 5.5): 16.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 736.8±3.0 cm3

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