ChemSpider 2D Image | DG(22:2(13Z,16Z)/14:1(9Z)/0:0) | C39H70O5

DG(22:2(13Z,16Z)/14:1(9Z)/0:0)

  • Molecular FormulaC39H70O5
  • Average mass618.970 Da
  • Monoisotopic mass618.522339 Da
  • ChemSpider ID24766315

  • 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,16Z)-13,16-Docosadiénoate de (2S)-3-hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
DG(22:2(13Z,16Z)/14:1(9Z)/0:0)
(2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate
1-Docosadienoyl-2-myristoleoyl-sn-glycerol
DAG(22:2/14:1)
DAG(22:2n6/14:1n5)
DAG(22:2w6/14:1w5)
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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: 669.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 186.5±19.4 °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: 14.91
ACD/LogD (pH 5.5): 12.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.26
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

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