ChemSpider 2D Image | 1-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(palmitoyloxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C59H98O6

1-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(palmitoyloxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC59H98O6
  • Average mass903.406 Da
  • Monoisotopic mass902.736328 Da
  • ChemSpider ID59653891

  • 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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 1-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(palmitoyloxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
1-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(palmitoyloxy)-2-propanyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-Palmitoyl-2-osbondoyl-3-a-linolenoyl-glycerol
TAG(16:0/22:5/18:3)
TAG(56:8)
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
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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: 832.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 307.3±34.3 °C
Index of Refraction: 1.496
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.73
ACD/LogD (pH 5.5): 19.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 962.2±3.0 cm3

Click to predict properties on the Chemicalize site


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