ChemSpider 2D Image | 2-Docosahexaenoyl glycerol | C25H38O4

2-Docosahexaenoyl glycerol

  • Molecular FormulaC25H38O4
  • Average mass402.567 Da
  • Monoisotopic mass402.277008 Da
  • ChemSpider ID24765781

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
175878-30-5 [RN]
2-Docosahexaenoyl glycerol
4,7,10,13,16,19-Docosahexaenoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1,3-dihydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Monoacylglyceride
1-Monoacylglycerol
2-(22:6(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
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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: 1.0±0.1 g/cm3
Boiling Point: 531.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 168.5±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8248.57
ACD/KOC (pH 5.5): 22127.58
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8248.57
ACD/KOC (pH 7.4): 22127.56
Polar Surface Area: 67 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

Click to predict properties on the Chemicalize site


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