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Search term: 59657554 (Found by CSID)
ChemSpider 2D Image | 3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-11-icosenoate | C53H98O6

3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-11-icosenoate

  • Molecular FormulaC53H98O6
  • Average mass831.342 Da
  • Monoisotopic mass830.736328 Da
  • ChemSpider ID59657554

  • 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

(11Z)-11-Icosénoate de 3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (11Z)-icos-11-enoate
1-(9Z-Hexadecenoyl)-2-tetradecanoyl-3-(11-eicosenoyl)-glycerol
1-Palmitoleoyl-2-myristoyl-3-eicosenoyl-glycerol
TAG(16:1/14:0/20:1)
TAG(50:2)
TG(16:1(9Z)/14:0/20:1(11Z))
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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: 781.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 293.0±24.6 °C
Index of Refraction: 1.473
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.10
ACD/LogD (pH 5.5): 20.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 901.4±3.0 cm3

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