ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C45H76O5

(2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC45H76O5
  • Average mass697.082 Da
  • Monoisotopic mass696.569275 Da
  • ChemSpider ID7822870

  • 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-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-1-hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1S)-2-hydroxy-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(11Z,14Z-eicosadienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
1-Eicosadienoyl-2-adrenoyl-sn-glycerol
DAG(20:2/22:4)
DAG(20:2n6/22:4n6)
DAG(20:2w6/22:4w6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010255 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 197.0±26.4 °C
Index of Refraction: 1.497
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.22
ACD/LogD (pH 5.5): 13.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.56
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: 36.2±3.0 dyne/cm
Molar Volume: 737.9±3.0 cm3

Click to predict properties on the Chemicalize site


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