ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]propyl docosanoate | C45H80O5

(2S)-3-Hydroxy-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]propyl docosanoate

  • Molecular FormulaC45H80O5
  • Average mass701.114 Da
  • Monoisotopic mass700.600586 Da
  • ChemSpider ID24766285

  • 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)-3-Hydroxy-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]propyl docosanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-3-hydroxy-2-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2S)-3-hydroxy-2-[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-3-hydroxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl docosanoate
1-Behenoyl-2-eicsoate
1-Behenoyl-2-eicsoatetraenoyl-sn-glycerol
1-Behenoyl-2-eicsoic acid
DAG(22:0/20:4)
DAG(22:0/20:4n3)
More...

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 196.2±26.4 °C
Index of Refraction: 1.487
Molar Refractivity: 215.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.26
ACD/LogD (pH 5.5): 15.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 750.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement