ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (9E,12E,15E)-9,12,15-octadecatrienoate | C35H62O5

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (9E,12E,15E)-9,12,15-octadecatrienoate

  • Molecular FormulaC35H62O5
  • Average mass562.864 Da
  • Monoisotopic mass562.459717 Da
  • ChemSpider ID59697226

  • 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 (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-(9E,12E,15E)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9E,12E,15E)-9,12,15-Octadécatriénoate de (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (9E,12E,15E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl octadeca-9,12,15-trienoate
DG(14:0/18:3(9Z,12Z,15Z)/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 629.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 180.0±22.2 °C
Index of Refraction: 1.484
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.63
ACD/LogD (pH 5.5): 11.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 592.0±3.0 cm3

Click to predict properties on the Chemicalize site


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