ChemSpider 2D Image | (2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl (5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxy-6,8,11,13-icosatetraenoate | C39H68O7

(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl (5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxy-6,8,11,13-icosatetraenoate

  • Molecular FormulaC39H68O7
  • Average mass648.953 Da
  • Monoisotopic mass648.496521 Da
  • ChemSpider ID117214746

  • 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)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl (5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxy-6,8,11,13-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl-(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxy-6,8,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6E,8Z,11Z,13E,15R)-5,15-Dihydroxy-6,8,11,13-icosatétraénoate de (2S)-1-hydroxy-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, (1S)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5S,6E,8Z,11Z,13E,15R)- [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: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 209.2±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: 11.06
ACD/LogD (pH 5.5): 10.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
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

Click to predict properties on the Chemicalize site


Advertisement