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Search term: 59658607 (Found by CSID)
ChemSpider 2D Image | 1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C57H100O6

1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID59658607

  • 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

(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de 1-[(11Z)-11-octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
1-[(11Z)-11-Octadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-(11Z-Octadecenoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(9Z-octadecenoyl)-glycerol
1-Vaccenoyl-2-a-linolenoyl-3-oleoyl-glycerol
TAG(18:1/18:3/18:1)
TAG(54:5)
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z))
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: 817.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 302.9±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 271.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.51
ACD/LogD (pH 5.5): 19.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

Click to predict properties on the Chemicalize site


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