ChemSpider 2D Image | DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0) | C39H68O5

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

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID24765997
  • 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-[(9Z)-9-octadecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-octadecenoyloxy]-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (2S)-1-hydroxy-3-[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0)
(2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1-Oleoyl-2-g-linolenoyl-sn-glycerol
1-Oleoyl-2-γ-linolenoyl-sn-glycerol
DAG(18:1/18:3)
DAG(18:1n9/18:3n6)
More...

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±55.0 °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±25.0 °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: 14.30
ACD/LogD (pH 5.5): 12.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.48
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

Click to predict properties on the Chemicalize site






Advertisement