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Search term: 59656943 (Found by CSID)
ChemSpider 2D Image | (2S)-2-(Palmitoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C53H94O6

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

  • Molecular FormulaC53H94O6
  • Average mass827.310 Da
  • Monoisotopic mass826.705017 Da
  • ChemSpider ID59656943

  • 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)-2-(Palmitoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-2-(Palmitoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2S)-2-(palmitoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2S)-2-[(1-oxohexadecyl)oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-2-(hexadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(9Z-Tetradecenoyl)-2-hexadecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Myristoleoyl-2-palmitoyl-3-meadoyl-glycerol
TAG(14:1/16:0/20:3)
TAG(50:4)
TG(14:1(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: 783.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 294.3±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 253.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.03
ACD/LogD (pH 5.5): 19.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 888.7±3.0 cm3

Click to predict properties on the Chemicalize site


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