ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl tetracosanoate | C45H84O5

(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl tetracosanoate

  • Molecular FormulaC45H84O5
  • Average mass705.146 Da
  • Monoisotopic mass704.631897 Da
  • ChemSpider ID24766457

  • 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)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl tetracosanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-3-hydroxy-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2S)-3-hydroxy-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl tetracosanoate
1-Lignoceroyl-2-linoleoyl-sn-glycerol
DAG(24:0/18:2)
DAG(24:0/18:2n6)
DAG(24:0/18:2w6)
DAG(42:2)
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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: 728.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 195.3±20.8 °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): 16.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.79
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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