ChemSpider 2D Image | DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0) | C43H76O5

DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)

  • Molecular FormulaC43H76O5
  • Average mass673.060 Da
  • Monoisotopic mass672.569275 Da
  • ChemSpider ID24766040

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-hydroxy-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)
(2S)-1-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-g-Linolenoyl-2-erucoyl-sn-glycerol
1-γ-Linolenoyl-2-erucoyl-sn-glycerol
DAG(18:3/22:1)
DAG(18:3n6/22:1n9)
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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: 16.43
ACD/LogD (pH 5.5): 13.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.87
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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