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Search term: 59657292 (Found by CSID)
ChemSpider 2D Image | 1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C55H96O6

1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC55H96O6
  • Average mass853.347 Da
  • Monoisotopic mass852.720703 Da
  • ChemSpider ID59657292

  • 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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 1-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(9Z-Tetradecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(11Z-octadecenoyl)-glycerol
1-Myristoleoyl-2-homo-g-linolenoyl-3-vaccenoyl-glycerol
TAG(14:1/20:3/18:1)
TAG(14:1/20:3n6/18:1)
TAG(14:1/20:3w6/18:1)
More...

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: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.45
ACD/LogD (pH 5.5): 18.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.30
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: 35.1±3.0 dyne/cm
Molar Volume: 915.3±3.0 cm3

Click to predict properties on the Chemicalize site


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