ChemSpider 2D Image | (2S)-2-Hydroxy-3-(nonadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate | C42H76O7

(2S)-2-Hydroxy-3-(nonadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate

  • Molecular FormulaC42H76O7
  • Average mass693.049 Da
  • Monoisotopic mass692.559082 Da
  • ChemSpider ID117215313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-Hydroxy-3-(nonadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(nonadecanoyloxy)propyl-(8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-5,6-Dihydroxy-8,11,14-icosatriénoate de (2S)-2-hydroxy-3-(nonadecanoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-, (2S)-2-hydroxy-3-[(1-oxononadecyl)oxy]propyl ester, (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: 755.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 210.2±26.4 °C
Index of Refraction: 1.494
Molar Refractivity: 204.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.09
ACD/LogD (pH 5.5): 11.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 113 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 703.3±3.0 cm3

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