ChemSpider 2D Image | (2S)-2-(Docosanoyloxy)-3-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C47H82O5

(2S)-2-(Docosanoyloxy)-3-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC47H82O5
  • Average mass727.151 Da
  • Monoisotopic mass726.616211 Da
  • ChemSpider ID24766385

  • 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-(Docosanoyloxy)-3-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2S)-2-(Docosanoyloxy)-3-hydroxypropyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2S)-2-(docosanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (2S)-3-hydroxy-2-[(1-oxodocosyl)oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-2-(docosanoyloxy)-3-hydroxypropyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Docosapentaenoyl-2-behenoyl-sn-glycerol
1-Osbondoyl-2-behenoyl-sn-glycerol
DAG(22:5/22:0)
DAG(22:5n6/22:0)
DAG(22:5w6/22:0)
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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: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 199.4±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: 17.83
ACD/LogD (pH 5.5): 15.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.66
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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