ChemSpider 2D Image | (2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C57H96O6

(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID24768255

  • 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

(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (2R)-2,3-bis[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (2R)-2,3-bis[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1,2-di-(9Z,12Z-octadecadienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
1-Linoleoyl-2-linoleoyl-3-g-linolenoyl-glycerol
1-Linoleoyl-2-linoleoyl-3-γ-linolenoyl-glycerol
TAG(18:2/18:2/18:3)
TAG(18:2n6/18:2n6/18:3n6)
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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: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 303.2±34.3 °C
Index of Refraction: 1.493
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.55
ACD/LogD (pH 5.5): 18.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 935.5±3.0 cm3

Click to predict properties on the Chemicalize site


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