Found 18 results

Search term: MF = 'C_{36}H_{66}O_{5}'
ChemSpider 2D Image | (2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (9E,12E)-9,12-octadecadienoate | C36H66O5

(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC36H66O5
  • Average mass578.906 Da
  • Monoisotopic mass578.491028 Da
  • ChemSpider ID59697398

  • 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-(pentadecanoyloxy)propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9E,12E)-9,12-Octadécadiénoate de (2S)-3-hydroxy-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2S)-3-hydroxy-2-[(1-oxopentadecyl)oxy]propyl ester, (9E,12E)- [ACD/Index Name]
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl octadeca-9,12-dienoate
DG(18:2(9Z,12Z)/15:0/0:0)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 639.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 181.1±19.4 °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): 12.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.82
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

Click to predict properties on the Chemicalize site


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