ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C45H68O5

(2S)-1-Hydroxy-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC45H68O5
  • Average mass689.018 Da
  • Monoisotopic mass688.506653 Da
  • ChemSpider ID24766242

  • 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-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2S)-1-hydroxy-3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-hydroxy-1-[[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Eicsoate
1-Eicsoatetraenoyl-2-docosahexaenoyl-sn-glycerol
1-Eicsoic acid
DAG(20:4/22:6)
DAG(20:4n3/22:6n3)
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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: 1.0±0.1 g/cm3
Boiling Point: 723.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 198.6±26.4 °C
Index of Refraction: 1.519
Molar Refractivity: 216.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 10.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 712.3±3.0 cm3

Click to predict properties on the Chemicalize site


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