ChemSpider 2D Image | DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0) | C41H72O5

DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0)

  • Molecular FormulaC41H72O5
  • Average mass645.007 Da
  • Monoisotopic mass644.537964 Da
  • ChemSpider ID24765999

  • 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-[(9Z)-9-octadecenoyloxy]-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-octadecenoyloxy]-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-[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0)
(2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-Oleoyl-2-meadoyl-sn-glycerol
DAG(18:1/20:3)
DAG(18:1n9/20:3n9)
DAG(18:1w9/20:3w9)
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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: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 190.3±25.0 °C
Index of Refraction: 1.488
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.42
ACD/LogD (pH 5.5): 13.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.90
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: 35.9±3.0 dyne/cm
Molar Volume: 684.6±3.0 cm3

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