ChemSpider 2D Image | (2S)-2-[(13Z)-13-Docosenoyloxy]-3-hydroxypropyl tetracosanoate | C49H94O5

(2S)-2-[(13Z)-13-Docosenoyloxy]-3-hydroxypropyl tetracosanoate

  • Molecular FormulaC49H94O5
  • Average mass763.268 Da
  • Monoisotopic mass762.710144 Da
  • ChemSpider ID24766470

  • 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)-2-[(13Z)-13-Docosenoyloxy]-3-hydroxypropyl tetracosanoate [ACD/IUPAC Name]
(2S)-2-[(13Z)-13-Docosenoyloxy]-3-hydroxypropyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-2-[(13Z)-13-docosenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2S)-3-hydroxy-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(13Z)-docos-13-enoyloxy]-3-hydroxypropyl tetracosanoate
1-Lignoceroyl-2-erucoyl-sn-glycerol
DAG(24:0/22:1)
DAG(24:0/22:1n9)
DAG(24:0/22:1w9)
DAG(46:1)
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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: 757.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 197.4±17.2 °C
Index of Refraction: 1.472
Molar Refractivity: 234.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 21.26
ACD/LogD (pH 5.5): 18.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 835.8±3.0 cm3

Click to predict properties on the Chemicalize site


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