ChemSpider 2D Image | 1-alpha-linolenoyl-2-oleoyl-sn-glycerol | C39H68O5

1-α-linolenoyl-2-oleoyl-sn-glycerol

  • Molecular FormulaC39H68O5
  • Average mass616.954 Da
  • Monoisotopic mass616.506653 Da
  • ChemSpider ID24766055
  • 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-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-3-hydroxy-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
1-α-linolenoyl-2-oleoyl-sn-glycerol
9,12,15-Octadecatrienoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-(9Z,12Z,15Z)-octadecatrienoyl-2-(9Z)-octadecenoyl-sn-glycerol
1-a-Linolenoyl-2-oleoyl-sn-glycerol
DAG(18:3/18:1)
DAG(18:3n3/18:1n9)
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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: 0.9±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 187.2±25.0 °C
Index of Refraction: 1.489
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.23
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 651.6±3.0 cm3

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