ChemSpider 2D Image | 3-[(13Z)-13-Docosenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C47H82O5

3-[(13Z)-13-Docosenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC47H82O5
  • Average mass727.151 Da
  • Monoisotopic mass726.616211 Da
  • ChemSpider ID35028355

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de 3-[(13Z)-13-docosenoyloxy]-2-hydroxypropyle [French] [ACD/IUPAC Name]
3-[(13Z)-13-Docosenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
3-[(13Z)-13-Docosenoyloxy]-2-hydroxypropyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, 2-hydroxy-3-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(13Z-Docosenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
1-Erucoyl-3-adrenoyl-sn-glycerol
3-[(13Z)-docos-13-enoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
DAG(22:1/0:0/22:4)
DAG(22:1n9/0:0/22:4n6)
DAG(22:1w9/0:0/22:4w6)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 752.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 201.9±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: 17.80
ACD/LogD (pH 5.5): 15.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.01
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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