ChemSpider 2D Image | (2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl (5E,8Z,11S,12Z,14Z)-11-hydroxy-5,8,12,14-icosatetraenoate | C37H64O6

(2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl (5E,8Z,11S,12Z,14Z)-11-hydroxy-5,8,12,14-icosatetraenoate

  • Molecular FormulaC37H64O6
  • Average mass604.901 Da
  • Monoisotopic mass604.470276 Da
  • ChemSpider ID117214275

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl (5E,8Z,11S,12Z,14Z)-11-hydroxy-5,8,12,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl-(5E,8Z,11S,12Z,14Z)-11-hydroxy-5,8,12,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5E,8Z,11S,12Z,14Z)-11-Hydroxy-5,8,12,14-icosatétraénoate de (2S)-2-hydroxy-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,12,14-Eicosatetraenoic acid, 11-hydroxy-, (2S)-2-hydroxy-3-[(1-oxotetradecyl)oxy]propyl ester, (5E,8Z,11S,12Z,14Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 690.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 198.4±21.9 °C
Index of Refraction: 1.496
Molar Refractivity: 180.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 10.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 616.5±3.0 cm3

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