Found 18 results

Search term: MF = 'C_{36}H_{66}O_{5}'
ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate | C36H66O5

(2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC36H66O5
  • Average mass578.906 Da
  • Monoisotopic mass578.491028 Da
  • ChemSpider ID113371348

  • 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

(11Z,14Z)-11,14-Icosadiénoate de (2S)-1-hydroxy-3-(tridecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1S)-2-hydroxy-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester, (11Z,14Z)- [ACD/Index Name]
1-tridecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycerol
DG(13:0/20:2(11Z,14Z)/0:0)[iso2]
DG(13:0_20:2)
DG(33:2)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 632.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.2±6.0 kJ/mol
Flash Point: 178.4±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 174.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.84
ACD/LogD (pH 5.5): 12.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 614.9±3.0 cm3

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