ChemSpider 2D Image | 2-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C45H72O5

2-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC45H72O5
  • Average mass693.050 Da
  • Monoisotopic mass692.537964 Da
  • ChemSpider ID35028346

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de 2-hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
2-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
2-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 2-hydroxy-3-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-(5Z,8Z,11Z-Eicosatrienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
1-Meadoyl-3-docosapentaenoyl-sn-glycerol
2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
DAG(20:3/0:0/22:5)
DAG(20:3n9/0:0/22:5n3)
DAG(20:3w9/0:0/22:5w3)
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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: 732.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 200.4±26.4 °C
Index of Refraction: 1.508
Molar Refractivity: 216.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 14.98
ACD/LogD (pH 5.5): 12.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.80
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: 36.6±3.0 dyne/cm
Molar Volume: 725.1±3.0 cm3

Click to predict properties on the Chemicalize site


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