ChemSpider 2D Image | 2-[(9E)-9-Octadecenoyloxy]-3-(pentadecanoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate | C54H96O6

2-[(9E)-9-Octadecenoyloxy]-3-(pentadecanoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate

  • Molecular FormulaC54H96O6
  • Average mass841.336 Da
  • Monoisotopic mass840.720703 Da
  • ChemSpider ID59699906

  • 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

(9E,12E,15E)-9,12,15-Octadécatriénoate de 2-[(9E)-9-octadecenoyloxy]-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
2-[(9E)-9-Octadecenoyloxy]-3-(pentadecanoyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
2-[(9E)-9-Octadecenoyloxy]-3-(pentadecanoyloxy)propyl-(9E,12E,15E)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]-3-[(1-oxopentadecyl)oxy]propyl ester, (9E,12E,15E)- [ACD/Index Name]
(2R)-2-(octadec-9-enoyloxy)-3-(pentadecanoyloxy)propyl octadeca-9,12,15-trienoate
TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 296.5±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 257.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.44
ACD/LogD (pH 5.5): 19.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.71
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: 35.0±3.0 dyne/cm
Molar Volume: 905.2±3.0 cm3

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