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Search term: 59657595 (Found by CSID)
ChemSpider 2D Image | (2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(palmitoyloxy)propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C55H98O6

(2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(palmitoyloxy)propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC55H98O6
  • Average mass855.363 Da
  • Monoisotopic mass854.736328 Da
  • ChemSpider ID59657595

  • 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-Hexadecenoyloxy]-2-(palmitoyloxy)propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(palmitoyloxy)propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2S)-3-[(9Z)-9-hexadecenoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2S)-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(9Z-Hexadecenoyl)-2-hexadecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Palmitoleoyl-2-palmitoyl-3-meadoyl-glycerol
TAG(16:1/16:0/20:3)
TAG(52:4)
TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))
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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: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 298.6±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.09
ACD/LogD (pH 5.5): 20.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

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