ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate | C39H68O5

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID59697237

  • 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-(tetradecanoyloxy)-2-propanyl (7E,10E,13E,16E)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-(7E,10E,13E,16E)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E)-7,10,13,16-Docosatétraénoate de (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (7E,10E,13E,16E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosa-7,10,13,16-tetraenoate
DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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: 14.07
ACD/LogD (pH 5.5): 12.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.77
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

Click to predict properties on the Chemicalize site


Advertisement