ChemSpider 2D Image | (2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate | C37H62O6

(2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate

  • Molecular FormulaC37H62O6
  • Average mass602.885 Da
  • Monoisotopic mass602.454651 Da
  • ChemSpider ID117214327

  • 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)-2-Hydroxy-3-(tetradecanoyloxy)propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(tetradecanoyloxy)propyl-(6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatétraénoate de (2S)-2-hydroxy-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
6,8,11,14-Eicosatetraenoic acid, 5-oxo-, (2S)-2-hydroxy-3-[(1-oxotetradecyl)oxy]propyl ester, (6E,8Z,11Z,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: 694.3±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 200.6±24.7 °C
Index of Refraction: 1.492
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 11.37
ACD/LogD (pH 5.5): 10.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 615.7±3.0 cm3

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