ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(11E)-11-octadecenoyloxy]propyl (9E)-9-octadecenoate | C39H72O5

(2S)-3-Hydroxy-2-[(11E)-11-octadecenoyloxy]propyl (9E)-9-octadecenoate

  • Molecular FormulaC39H72O5
  • Average mass620.986 Da
  • Monoisotopic mass620.537964 Da
  • ChemSpider ID59697375

  • 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-[(11E)-11-octadecenoyloxy]propyl (9E)-9-octadecenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(11E)-11-octadecenoyloxy]propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2S)-3-hydroxy-2-[(11E)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2S)-3-hydroxy-2-[[(11E)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (9E)- [ACD/Index Name]
(2S)-1-hydroxy-3-(octadec-9-enoyloxy)propan-2-yl octadec-11-enoate
DG(18:1(9Z)/18:1(11Z)/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 667.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 185.1±16.7 °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): 13.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.46
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

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