ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (11E,14E,11'E,14'E)bis(-11,14-icosadienoate) | C43H76O5

(2S)-3-Hydroxy-1,2-propanediyl (11E,14E,11'E,14'E)bis(-11,14-icosadienoate)

  • Molecular FormulaC43H76O5
  • Average mass673.060 Da
  • Monoisotopic mass672.569275 Da
  • ChemSpider ID59697567

  • 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

(11E,14E,11'E,14'E)Bis(-11,14-icosadiénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propandiyl-(11E,14E,11'E,14'E)bis(-11,14-icosadienoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (11E,14E,11'E,14'E)bis(-11,14-icosadienoate) [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (11E,14E,11'E,14'E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(icosa-11,14-dienoyloxy)propan-2-yl icosa-11,14-dienoate
DG(20:2(11Z,14Z)/20:2(11Z,14Z)/0:0)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 704.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 191.7±19.4 °C
Index of Refraction: 1.487
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.52
ACD/LogD (pH 5.5): 13.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 717.6±3.0 cm3

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