ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C43H66O5

(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC43H66O5
  • Average mass662.981 Da
  • Monoisotopic mass662.491028 Da
  • ChemSpider ID7822857
  • 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,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2S)-1-hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
1-a-Linolenoyl-2-docosahexaenoyl-sn-glycerol
1-α-Linolenoyl-2-docosahexaenoyl-sn-glycerol
DAG(18:3/22:6)
DAG(18:3n3/22:6n3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010242 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 195.4±26.4 °C
Index of Refraction: 1.515
Molar Refractivity: 206.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.31
ACD/LogD (pH 5.5): 10.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 685.7±3.0 cm3

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