ChemSpider 2D Image | (2R)-2-Hydroxy-3-(palmitoyloxy)propyl (5Z,8Z,10E,14Z,17Z)-12-hydroxy-5,8,10,14,17-icosapentaenoate | C39H66O6

(2R)-2-Hydroxy-3-(palmitoyloxy)propyl (5Z,8Z,10E,14Z,17Z)-12-hydroxy-5,8,10,14,17-icosapentaenoate

  • Molecular FormulaC39H66O6
  • Average mass630.938 Da
  • Monoisotopic mass630.485962 Da
  • ChemSpider ID117214732

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-(palmitoyloxy)propyl (5Z,8Z,10E,14Z,17Z)-12-hydroxy-5,8,10,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-(palmitoyloxy)propyl-(5Z,8Z,10E,14Z,17Z)-12-hydroxy-5,8,10,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,10E,14Z,17Z)-12-Hydroxy-5,8,10,14,17-icosapentaénoate de (2R)-2-hydroxy-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,10,14,17-Eicosapentaenoic acid, 12-hydroxy-, (2R)-2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester, (5Z,8Z,10E,14Z,17Z)- [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: 708.7±59.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 201.6±26.1 °C
Index of Refraction: 1.501
Molar Refractivity: 189.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 12.21
ACD/LogD (pH 5.5): 11.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 643.1±3.0 cm3

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