ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate | C45H78O5

(2S)-3-Hydroxy-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H78O5
  • Average mass699.098 Da
  • Monoisotopic mass698.584900 Da
  • ChemSpider ID24766329

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (2S)-3-hydroxy-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2S)-3-hydroxy-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate
1-Docosadienoyl-2-meadoyl-sn-glycerol
DAG(22:2/20:3)
DAG(22:2n6/20:3n9)
DAG(22:2w6/20:3w9)
DAG(42:5)
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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: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 196.6±26.4 °C
Index of Refraction: 1.492
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 17.02
ACD/LogD (pH 5.5): 14.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.39
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: 35.9±3.0 dyne/cm
Molar Volume: 744.3±3.0 cm3

Click to predict properties on the Chemicalize site


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