ChemSpider 2D Image | DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0) | C41H70O5

DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)

  • Molecular FormulaC41H70O5
  • Average mass642.992 Da
  • Monoisotopic mass642.522339 Da
  • ChemSpider ID24765980

  • 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

(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2S)-1-hydroxy-3-[(11Z)-11-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (1S)-2-hydroxy-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
1-Vaccenoyl-2-eicsoate
1-Vaccenoyl-2-eicsoatetraenoyl-sn-glycerol
1-Vaccenoyl-2-eicsoic acid
DAG(18:1/20:4)
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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: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 190.7±25.0 °C
Index of Refraction: 1.494
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.62
ACD/LogD (pH 5.5): 11.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 678.2±3.0 cm3

Click to predict properties on the Chemicalize site


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