ChemSpider 2D Image | 2-(Pentadecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl (13Z)-13-docosenoate | C54H100O6

2-(Pentadecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl (13Z)-13-docosenoate

  • Molecular FormulaC54H100O6
  • Average mass845.368 Da
  • Monoisotopic mass844.752014 Da
  • ChemSpider ID59656922

  • 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

(13Z)-13-Docosénoate de 2-(pentadecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 2-[(1-oxopentadecyl)oxy]-3-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
2-(Pentadecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
2-(Pentadecanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
(2R)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (13Z)-docos-13-enoate
1-(9Z-Tetradecenoyl)-2-pentadecanoyl-3-(13Z-docosenoyl)-glycerol
1-Myristoleoyl-2-pentadecanoyl-3-erucoyl-glycerol
TAG(14:1/15:0/22:1)
TAG(51:2)
TG(14:1(9Z)/15:0/22:1(13Z))
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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: 790.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 295.2±24.6 °C
Index of Refraction: 1.473
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.64
ACD/LogD (pH 5.5): 20.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 918.0±3.0 cm3

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