ChemSpider 2D Image | (2S)-3-Hydroxy-2-(palmitoyloxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate | C39H68O7

(2S)-3-Hydroxy-2-(palmitoyloxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate

  • Molecular FormulaC39H68O7
  • Average mass648.953 Da
  • Monoisotopic mass648.496521 Da
  • ChemSpider ID117214751

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-(palmitoyloxy)propyl (5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(palmitoyloxy)propyl-(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6S,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatétraénoate de (2S)-3-hydroxy-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 5,6-dihydroxy-, (2S)-3-hydroxy-2-[(1-oxohexadecyl)oxy]propyl ester, (5S,6S,8Z,11Z,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: 719.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 204.2±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 191.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 10.81
ACD/LogD (pH 5.5): 10.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7003097.50
ACD/LogD (pH 7.4): 10.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7003090.00
Polar Surface Area: 113 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 647.4±3.0 cm3

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