ChemSpider 2D Image | DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) | C39H66O5

DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)

  • Molecular FormulaC39H66O5
  • Average mass614.938 Da
  • Monoisotopic mass614.491028 Da
  • ChemSpider ID24766070
  • 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)-3-Hydroxy-2-[(11Z)-11-octadecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(11Z)-11-octadecenoyloxy]propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2S)-3-hydroxy-2-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2S)-3-hydroxy-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)
(2S)-3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Stearidonoyl-2-vaccenoyl-sn-glycerol
DAG(18:4/18:1)
DAG(18:4n3/18:1n7)
DAG(18:4w3/18:1w7)
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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: 1.0±0.1 g/cm3
Boiling Point: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±6.0 kJ/mol
Flash Point: 187.6±25.0 °C
Index of Refraction: 1.495
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.62
ACD/LogD (pH 5.5): 11.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 645.2±3.0 cm3

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