ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (13Z)-13-docosenoate | C45H82O5

(2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC45H82O5
  • Average mass703.130 Da
  • Monoisotopic mass702.616211 Da
  • ChemSpider ID7822844

  • 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

(13Z)-13-Docosénoate de (2S)-1-hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(11Z,14Z)-11,14-icosadienoyloxy]-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-hydroxy-1-[[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-(11Z,14Z-eicosadienoyl)-2-(13Z-docosenoyl)-sn-glycerol
1-Eicosadienoyl-2-erucoyl-sn-glycerol
DAG(20:2/22:1)
DAG(20:2n6/22:1n9)
DAG(20:2w6/22:1w9)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010229 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 721.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 193.3±18.1 °C
Index of Refraction: 1.482
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 18.10
ACD/LogD (pH 5.5): 15.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 757.0±3.0 cm3

Click to predict properties on the Chemicalize site


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