ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-propanyl (5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoate | C43H68O5

(2S)-1-Hydroxy-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-propanyl (5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC43H68O5
  • Average mass664.997 Da
  • Monoisotopic mass664.506653 Da
  • ChemSpider ID59697630

  • 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-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-propanyl (5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-propanyl-(5E,8E,11E,14E,17E)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5E,8E,11E,14E,17E)-5,8,11,14,17-Icosapentaénoate de (2S)-1-hydroxy-3-[(8E,11E,14E)-8,11,14-icosatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1S)-2-hydroxy-1-[[[(8E,11E,14E)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (5E,8E,11E,14E,17E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(icosa-8,11,14-trienoyloxy)propan-2-yl icosa-5,8,11,14,17-pentaenoate
DG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/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: 706.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 194.9±26.4 °C
Index of Refraction: 1.509
Molar Refractivity: 206.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.92
ACD/LogD (pH 5.5): 11.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 692.1±3.0 cm3

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