ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl docosanoate | C43H78O5

(2S)-1-Hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl docosanoate

  • Molecular FormulaC43H78O5
  • Average mass675.076 Da
  • Monoisotopic mass674.584900 Da
  • ChemSpider ID24766039

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-1-hydroxy-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl docosanoate
1-(6Z,9Z,12Z-octadecatrienoyl)-2-docosanoyl-sn-glycerol
1-g-Linolenoyl-2-behenoyl-sn-glycerol
1-γ-Linolenoyl-2-behenoyl-sn-glycerol
DAG(18:3/22:0)
DAG(18:3n6/22:0)
More...

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: 709.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 192.9±26.4 °C
Index of Refraction: 1.482
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 16.95
ACD/LogD (pH 5.5): 15.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.22
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: 35.6±3.0 dyne/cm
Molar Volume: 724.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement