ChemSpider 2D Image | 1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol | C39H72O5

1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol

  • Molecular FormulaC39H72O5
  • Average mass620.986 Da
  • Monoisotopic mass620.537964 Da
  • ChemSpider ID24766009

  • 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)-3-Hydroxy-2-(stearoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(stearoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2S)-3-hydroxy-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
1-[(9Z,12Z)-octadecadienoyl]-2-octadecanoyl-sn-glycerol
9,12-Octadecadienoic acid, (2S)-3-hydroxy-2-[(1-oxooctadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
1-Linoleoyl-2-stearoyl-sn-glycerol
DAG(18:2/18:0)
DAG(18:2n6/18:0)
DAG(18:2w6/18:0)
More...

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: 670.2±35.0 °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: 186.1±19.4 °C
Index of Refraction: 1.477
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.43
ACD/LogD (pH 5.5): 14.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.14
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: 35.5±3.0 dyne/cm
Molar Volume: 664.4±3.0 cm3

Click to predict properties on the Chemicalize site


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