ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C35H58O5

(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID24766065
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-tetradecenoyloxy]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-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Stearidonoyl-2-myristoleoyl-sn-glycerol
DAG(18:4/14:1)
DAG(18:4n3/14:1n5)
DAG(18:4w3/14:1w5)
DAG(32:5)
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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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 180.9±25.0 °C
Index of Refraction: 1.497
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.50
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2899503.75
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2899503.75
Polar Surface Area: 73 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 579.2±3.0 cm3

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