ChemSpider 2D Image | DG(16:0/20:3(5Z,8Z,11Z)/0:0) | C39H70O5

DG(16:0/20:3(5Z,8Z,11Z)/0:0)

  • Molecular FormulaC39H70O5
  • Average mass618.970 Da
  • Monoisotopic mass618.522339 Da
  • ChemSpider ID24765933

  • 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-(palmitoyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(palmitoyloxy)-2-propanyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2S)-1-hydroxy-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
DG(16:0/20:3(5Z,8Z,11Z)/0:0)
(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-Palmitoyl-2-meadoyl-sn-glycerol
DAG(16:0/20:3)
DAG(16:0/20:3n9)
DAG(16:0/20:3w9)
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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: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 186.7±25.0 °C
Index of Refraction: 1.483
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.87
ACD/LogD (pH 5.5): 13.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 658.0±3.0 cm3

Click to predict properties on the Chemicalize site


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