Found 1 result

Search term: 59659336 (Found by CSID)
ChemSpider 2D Image | (2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(tetradecanoyloxy)propyl (13Z)-13-docosenoate | C57H102O6

(2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(tetradecanoyloxy)propyl (13Z)-13-docosenoate

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID59659336

  • 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 (2S)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(tetradecanoyloxy)propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-(tetradecanoyloxy)propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (2S)-3-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (13Z)- [ACD/Index Name]
(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(tetradecanoyloxy)propyl (13Z)-docos-13-enoate
1-(13Z-Docosenoyl)-2-tetradecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-Erucoyl-2-myristoyl-3-g-linolenoyl-glycerol
TAG(22:1/14:0/18:3)
TAG(54:4)
TG(22:1(13Z)/14:0/18:3(6Z,9Z,12Z))
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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: 818.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.10
ACD/LogD (pH 5.5): 21.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


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