ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl tetracosanoate | C45H86O5

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

  • Molecular FormulaC45H86O5
  • Average mass707.161 Da
  • Monoisotopic mass706.647522 Da
  • ChemSpider ID24765989
  • 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 tetracosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic 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 tetracosanoate
1-Vaccenoyl-2-lignoceroyl-sn-glycerol
DAG(18:1/24:0)
DAG(18:1n7/24:0)
DAG(18:1w7/24:0)
DAG(42:1)
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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: 720.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 191.7±17.2 °C
Index of Refraction: 1.472
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 19.14
ACD/LogD (pH 5.5): 17.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.12
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: 35.1±3.0 dyne/cm
Molar Volume: 769.8±3.0 cm3

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