ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl docosanoate | C43H82O5

(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl docosanoate

  • Molecular FormulaC43H82O5
  • Average mass679.108 Da
  • Monoisotopic mass678.616211 Da
  • ChemSpider ID24765982

  • 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

(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl docosanoate
1-Vaccenoyl-2-behenoyl-sn-glycerol
DAG(18:1/22:0)
DAG(18:1n7/22:0)
DAG(18:1w7/22:0)
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, version: 14.00

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): 16.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.19
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

Click to predict properties on the Chemicalize site


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