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Search term: 59657094 (Found by CSID)
ChemSpider 2D Image | 3-[(9Z)-9-Tetradecenoyloxy]-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate) | C53H96O6

3-[(9Z)-9-Tetradecenoyloxy]-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate)

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID59657094

  • 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'Z)Bis(-11-octadécénoate) de 3-[(9Z)-9-tetradecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]-1,2-ethanediyl ester, (11Z,11'Z)- [ACD/Index Name]
3-[(9Z)-9-Tetradecenoyloxy]-1,2-propandiyl-(11Z,11'Z)bis(-11-octadecenoat) [German] [ACD/IUPAC Name]
3-[(9Z)-9-Tetradecenoyloxy]-1,2-propanediyl (11Z,11'Z)bis(-11-octadecenoate) [ACD/IUPAC Name]
(2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate
1-(9Z-Tetradecenoyl)-2-(11Z-octadecenoyl)-3-(11Z-octadecenoyl)-glycerol
1-Myristoleoyl-2-vaccenoyl-3-vaccenoyl-glycerol
TAG(14:1/18:1/18:1)
TAG(50:3)
TG(14:1(9Z)/18:1(11Z)/18:1(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: 781.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 293.1±24.6 °C
Index of Refraction: 1.477
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.59
ACD/LogD (pH 5.5): 18.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.70
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: 34.8±3.0 dyne/cm
Molar Volume: 895.1±3.0 cm3

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