ChemSpider 2D Image | (2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C36H62O5

(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC36H62O5
  • Average mass574.875 Da
  • Monoisotopic mass574.459717 Da
  • ChemSpider ID24766066

  • 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 (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(pentadecanoyloxy)propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2S)-3-hydroxy-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2S)-3-hydroxy-2-[(1-oxopentadecyl)oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Stearidonoyl-2-pentadecanoyl-sn-glycerol
DAG(18:4/15:0)
DAG(18:4n3/15:0)
DAG(18:4w3/15:0)
DAG(33:4)
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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: 1.0±0.1 g/cm3
Boiling Point: 638.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 182.2±25.0 °C
Index of Refraction: 1.490
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.55
ACD/LogD (pH 5.5): 11.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.30
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: 36.2±3.0 dyne/cm
Molar Volume: 602.1±3.0 cm3

Click to predict properties on the Chemicalize site


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