ChemSpider 2D Image | (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C65H102O6

(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC65H102O6
  • Average mass979.502 Da
  • Monoisotopic mass978.767639 Da
  • ChemSpider ID24768298

  • 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

(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-3-[[(7Z,10Z,13Z,16Z,19Z)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Docosapentaenoyl-2-oleoyl-3-docosahexaenoyl-glycerol
TAG(22:5/18:1/22:6)
TAG(22:5n3/18:1n9/22:6n3)
TAG(22:5w3/18:1w9/22:6w3)
TAG(62:12)
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 879.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 319.1±34.3 °C
Index of Refraction: 1.509
Molar Refractivity: 309.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.36
ACD/LogD (pH 5.5): 19.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.6±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 1035.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement