ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z)-13-docosenoate | C43H80O5

(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC43H80O5
  • Average mass677.092 Da
  • Monoisotopic mass676.600586 Da
  • ChemSpider ID24765983

  • 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

(13Z)-13-Docosénoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-hydroxy-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-Vaccenoyl-2-erucoyl-sn-glycerol
DAG(18:1/22:1)
DAG(18:1n7/22:1n9)
DAG(18:1w7/22:1w9)
DAG(40:2)
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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: 700.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 189.0±17.2 °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): 14.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.80
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

Click to predict properties on the Chemicalize site


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