ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl docosanoate | C43H80O5

(2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl docosanoate

  • Molecular FormulaC43H80O5
  • Average mass677.092 Da
  • Monoisotopic mass676.600586 Da
  • ChemSpider ID7822783
  • 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-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-1-hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl docosanoate
1-(9Z,12Z-octadecadienoyl)-2-docosanoyl-sn-glycerol
1-Linoleoyl-2-behenoyl-sn-glycerol
DAG(18:2/22:0)
DAG(18:2n6/22:0)
DAG(18:2w6/22:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010168 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 709.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 192.3±20.8 °C
Index of Refraction: 1.477
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.56
ACD/LogD (pH 5.5): 15.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.90
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: 35.3±3.0 dyne/cm
Molar Volume: 730.4±3.0 cm3

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