ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (8Z,11Z,14Z,17Z,8'Z,11'Z,14'Z,17'Z)bis(-8,11,14,17-icosatetraenoate) | C43H68O5

(2S)-3-Hydroxy-1,2-propanediyl (8Z,11Z,14Z,17Z,8'Z,11'Z,14'Z,17'Z)bis(-8,11,14,17-icosatetraenoate)

  • Molecular FormulaC43H68O5
  • Average mass664.997 Da
  • Monoisotopic mass664.506653 Da
  • ChemSpider ID24766234

  • 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-1,2-propandiyl-(8Z,11Z,14Z,17Z,8'Z,11'Z,14'Z,17'Z)bis(-8,11,14,17-icosatetraenoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (8Z,11Z,14Z,17Z,8'Z,11'Z,14'Z,17'Z)bis(-8,11,14,17-icosatetraenoate) [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z,8'Z,11'Z,14'Z,17'Z)Bis(-8,11,14,17-icosatétraénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (1S)-2-hydroxy-1-[[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
1,2-Dieicsoate
1,2-Dieicsoatetraenoyl-rac-glycerol
1,2-Dieicsoic acid
DAG(20:4/20:4)
DAG(20:4n3/20:4n3)
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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: 706.0±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: 194.9±26.4 °C
Index of Refraction: 1.509
Molar Refractivity: 206.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.80
ACD/LogD (pH 5.5): 11.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.02
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: 36.8±3.0 dyne/cm
Molar Volume: 692.1±3.0 cm3

Click to predict properties on the Chemicalize site


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