ChemSpider 2D Image | 3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C47H74O5

3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC47H74O5
  • Average mass719.088 Da
  • Monoisotopic mass718.553650 Da
  • ChemSpider ID35028440

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-2-hydroxypropyle [French] [ACD/IUPAC Name]
3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-hydroxypropyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-hydroxy-3-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
1-Adrenoyl-3-osbondoyl-sn-glycerol
3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
DAG(22:4/0:0/22:5)
DAG(22:4n6/0:0/22:5n6)
DAG(22:4w6/0:0/22:5w6)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 203.5±26.4 °C
Index of Refraction: 1.511
Molar Refractivity: 225.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.44
ACD/LogD (pH 5.5): 12.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 751.7±3.0 cm3

Click to predict properties on the Chemicalize site


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