ChemSpider 2D Image | 3-(Pentadecanoyloxy)-2-(stearoyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C54H98O6

3-(Pentadecanoyloxy)-2-(stearoyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC54H98O6
  • Average mass843.352 Da
  • Monoisotopic mass842.736328 Da
  • ChemSpider ID24768318

  • 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 3-(pentadecanoyloxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Pentadecanoyloxy)-2-(stearoyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
3-(Pentadecanoyloxy)-2-(stearoyloxy)propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[(1-oxooctadecyl)oxy]-3-[(1-oxopentadecyl)oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-pentadecanoyl-2-octadecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
1-Pentadecanoyl-2-stearoyl-3-a-linolenoyl-glycerol
1-Pentadecanoyl-2-stearoyl-3-α-linolenoyl-glycerol
TAG(15:0/18:0/18:3)
TAG(15:0/18:0/18:3n3)
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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: 792.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 296.4±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 257.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.96
ACD/LogD (pH 5.5): 20.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 911.6±3.0 cm3

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