ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate | C37H62O6

(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate

  • Molecular FormulaC37H62O6
  • Average mass602.885 Da
  • Monoisotopic mass602.454651 Da
  • ChemSpider ID117214328

  • 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 (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tetradecanoyloxy)-2-propanyl-(5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,13E)-15-Oxo-5,8,11,13-icosatétraénoate de (2S)-1-hydroxy-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
5,8,11,13-Eicosatetraenoic acid, 15-oxo-, (1S)-2-hydroxy-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,13E)- [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: 686.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 197.6±25.0 °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: 10.96
ACD/LogD (pH 5.5): 10.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.60
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

Click to predict properties on the Chemicalize site


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