ChemSpider 2D Image | (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-hydroxypropyl tetracosanoate | C49H86O5

(2S)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-hydroxypropyl tetracosanoate

  • Molecular FormulaC49H86O5
  • Average mass755.204 Da
  • Monoisotopic mass754.647522 Da
  • ChemSpider ID24766474
  • 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)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-hydroxypropyl tetracosanoate [ACD/IUPAC Name]
(2S)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-hydroxypropyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2S)-3-hydroxy-2-[[(7Z,10Z,13Z,16Z,19Z)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-hydroxypropyl tetracosanoate
1-Lignoceroyl-2-docosapentaenoyl-sn-glycerol
DAG(24:0/22:5)
DAG(24:0/22:5n3)
DAG(24:0/22:5w3)
DAG(46:5)
More...

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: 18.70
ACD/LogD (pH 5.5): 16.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.24
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






Advertisement