ChemSpider 2D Image | (2S)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C59H102O6

(2S)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC59H102O6
  • Average mass907.438 Da
  • Monoisotopic mass906.767639 Da
  • ChemSpider ID59673919

  • 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)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-[(9Z)-9-Octadecenoyloxy]-2-(palmitoyloxy)propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2S)-3-[(9Z)-9-octadecenoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-2-[(1-oxohexadecyl)oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-Oleoyl-2-palmitoyl-3-docosapentaenoyl-glycerol
TAG(18:1/16:0/22:5)
TAG(18:1n9/16:0/22:5n3)
TAG(18:1w9/16:0/22:5w3)
TAG(56:6)
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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: 833.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 307.1±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.74
ACD/LogD (pH 5.5): 20.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.60
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: 35.2±3.0 dyne/cm
Molar Volume: 974.9±3.0 cm3

Click to predict properties on the Chemicalize site


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