ChemSpider 2D Image | (2S)-1-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxy-2-propanyl tetracosanoate | C49H86O5

(2S)-1-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxy-2-propanyl tetracosanoate

  • Molecular FormulaC49H86O5
  • Average mass755.204 Da
  • Monoisotopic mass754.647522 Da
  • ChemSpider ID24766392
  • 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-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxy-2-propanyl tetracosanoate [ACD/IUPAC Name]
(2S)-1-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-hydroxy-2-propanyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-1-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1S)-2-hydroxy-1-[[[(4Z,7Z,10Z,13Z,16Z)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-hydroxypropan-2-yl tetracosanoate
1-Docosapentaenoyl-2-lignoceroyl-sn-glycerol
1-Osbondoyl-2-lignoceroyl-sn-glycerol
DAG(22:5/24:0)
DAG(22:5n6/24:0)
DAG(22:5w6/24:0)
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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: 763.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 202.0±26.4 °C
Index of Refraction: 1.490
Molar Refractivity: 234.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 18.90
ACD/LogD (pH 5.5): 16.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 810.3±3.0 cm3

Click to predict properties on the Chemicalize site






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