ChemSpider 2D Image | 2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate | C55H98O6

2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC55H98O6
  • Average mass855.363 Da
  • Monoisotopic mass854.736328 Da
  • ChemSpider ID59673912

  • 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)-9,12-Octadécadiénoate de 2-[(9Z)-9-hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(11Z)-11-octadecenoyloxy]propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
1-Vaccenoyl-2-palmitoleoyl-3-linoleoyl-glycerol
TAG(18:1/16:1/18:2)
TAG(18:1n7/16:1n7/18:2n6)
TAG(18:1w7/16:1w7/18:2w6)
TAG(52:4)
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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±55.0 °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±31.5 °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: 22.13
ACD/LogD (pH 5.5): 19.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.54
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

Click to predict properties on the Chemicalize site


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