ChemSpider 2D Image | DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0) | C43H76O5

DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0)

  • Molecular FormulaC43H76O5
  • Average mass673.060 Da
  • Monoisotopic mass672.569275 Da
  • ChemSpider ID24765977

  • 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 (5Z,8Z,11Z)-5,8,11-docosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-(5Z,8Z,11Z)-5,8,11-docosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Docosatriénoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
5,8,11-Docosatrienoic acid, (1S)-2-hydroxy-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0)
(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (5Z,8Z,11Z)-docosa-5,8,11-trienoate
1-Vaccenoyl-2-meadoyl-sn-glycerol
DAG(18:1/20:3)
DAG(18:1n7/20:3n9)
DAG(18:1w7/20:3w9)
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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: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 193.3±26.4 °C
Index of Refraction: 1.487
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.48
ACD/LogD (pH 5.5): 14.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 717.6±3.0 cm3

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