ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C45H74O5

(2S)-1-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC45H74O5
  • Average mass695.066 Da
  • Monoisotopic mass694.553650 Da
  • ChemSpider ID7822877

  • 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-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-1-hydroxy-3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1S)-2-hydroxy-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
1-Homo-g-linolenoyl-2-adrenoyl-sn-glycerol
1-Homo-γ-linolenoyl-2-adrenoyl-sn-glycerol
DAG(20:3/22:4)
DAG(20:3n6/22:4n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010262 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 197.4±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 216.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.54
ACD/LogD (pH 5.5): 13.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 731.5±3.0 cm3

Click to predict properties on the Chemicalize site


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