ChemSpider 2D Image | DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0) | C39H68O5

DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0)

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID24765972
  • 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 (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0)
(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-Vaccenoyl-2-a-linolenoyl-sn-glycerol
1-Vaccenoyl-2-α-linolenoyl-sn-glycerol
DAG(18:1/18:3)
DAG(18:1n7/18:3n3)
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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: 0.9±0.1 g/cm3
Boiling Point: 669.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 187.2±22.2 °C
Index of Refraction: 1.489
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.23
ACD/LogD (pH 5.5): 11.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 651.6±3.0 cm3

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