ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-propanyl tetracosanoate | C47H82O5

(2S)-1-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-propanyl tetracosanoate

  • Molecular FormulaC47H82O5
  • Average mass727.151 Da
  • Monoisotopic mass726.616211 Da
  • ChemSpider ID24766265

  • 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-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-propanyl tetracosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-propanyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1S)-2-hydroxy-1-[[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propan-2-yl tetracosanoate
1-Eicosapentaenoyl-2-lignoceroyl-sn-glycerol
DAG(20:5/24:0)
DAG(20:5n3/24:0)
DAG(20:5w3/24:0)
DAG(44:5)
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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: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 199.4±26.4 °C
Index of Refraction: 1.491
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.76
ACD/LogD (pH 5.5): 15.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 777.3±3.0 cm3

Click to predict properties on the Chemicalize site


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