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Search term: 59658452 (Found by CSID)
ChemSpider 2D Image | 3-[(11Z)-11-Octadecenoyloxy]-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) | C57H100O6

3-[(11Z)-11-Octadecenoyloxy]-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate)

  • Molecular FormulaC57H100O6
  • Average mass881.400 Da
  • Monoisotopic mass880.752014 Da
  • ChemSpider ID59658452

  • 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,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de 3-[(11Z)-11-octadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
3-[(11Z)-11-Octadecenoyloxy]-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
3-[(11Z)-11-Octadecenoyloxy]-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,9'Z,12'Z)- [ACD/Index Name]
(2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-(11Z-Octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol
1-Vaccenoyl-2-linoleoyl-3-linoleoyl-glycerol
TAG(18:1/18:2/18:2)
TAG(54:5)
TG(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
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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: 817.3±60.0 °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±32.9 °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: 22.68
ACD/LogD (pH 5.5): 19.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.88
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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