ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C39H64O5

(2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC39H64O5
  • Average mass612.922 Da
  • Monoisotopic mass612.475403 Da
  • ChemSpider ID24766013

  • 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-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2S)-1-hydroxy-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Linoleoyl-2-stearidonoyl-sn-glycerol
DAG(18:2/18:4)
DAG(18:2n6/18:4n3)
DAG(18:2w6/18:4w3)
DAG(36:6)
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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: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 188.0±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.10
ACD/LogD (pH 5.5): 10.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 638.8±3.0 cm3

Click to predict properties on the Chemicalize site


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