ChemSpider 2D Image | (2S)-3-Hydroxy-2-(palmitoyloxy)propyl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate | C37H64O5

(2S)-3-Hydroxy-2-(palmitoyloxy)propyl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC37H64O5
  • Average mass588.901 Da
  • Monoisotopic mass588.475403 Da
  • ChemSpider ID59697478

  • 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)-3-Hydroxy-2-(palmitoyloxy)propyl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(palmitoyloxy)propyl-(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6E,9E,12E,15E)-6,9,12,15-Octadécatétraénoate de (2S)-3-hydroxy-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2S)-3-hydroxy-2-[(1-oxohexadecyl)oxy]propyl ester, (6E,9E,12E,15E)- [ACD/Index Name]
(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl octadeca-6,9,12,15-tetraenoate
DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 649.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 183.9±25.0 °C
Index of Refraction: 1.490
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.08
ACD/LogD (pH 5.5): 11.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 618.6±3.0 cm3

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