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Search term: 24765907 (Found by CSID)
ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate | C36H66O5

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC36H66O5
  • Average mass578.906 Da
  • Monoisotopic mass578.491028 Da
  • ChemSpider ID24765907

  • 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)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2S)-1-hydroxy-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Pentadecanoyl-2-linoleoyl-sn-glycerol
DAG(15:0/18:2)
DAG(15:0/18:2n6)
DAG(15:0/18:2w6)
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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: 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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