ChemSpider 2D Image | (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-hydroxypropyl tetracosanoate | C49H84O5

(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-hydroxypropyl tetracosanoate

  • Molecular FormulaC49H84O5
  • Average mass753.188 Da
  • Monoisotopic mass752.631897 Da
  • ChemSpider ID24766475
  • 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)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-hydroxypropyl tetracosanoate [ACD/IUPAC Name]
(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-hydroxypropyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2S)-3-hydroxy-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-hydroxypropyl tetracosanoate
1-Lignoceroyl-2-docosahexaenoyl-sn-glycerol
DAG(24:0/22:6)
DAG(24:0/22:6n3)
DAG(24:0/22:6w3)
DAG(46:6)
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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: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 202.4±26.4 °C
Index of Refraction: 1.495
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.22
ACD/LogD (pH 5.5): 15.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 803.9±3.0 cm3

Click to predict properties on the Chemicalize site






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