ChemSpider 2D Image | (2S)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(tetradecanoyloxy)-2-propanyl docosanoate | C57H104O6

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

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID59651788

  • 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-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(tetradecanoyloxy)-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(tetradecanoyloxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-1-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl docosanoate
1-Myristoyl-2-behenoyl-3-g-linolenoyl-glycerol
1-Tetradecanoyl-2-docosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
TAG(14:0/22:0/18:3)
TAG(54:3)
TG(14:0/22:0/18:3(6Z,9Z,12Z))
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: 818.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±34.3 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.62
ACD/LogD (pH 5.5): 21.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement