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Search term: 59654827 (Found by CSID)
ChemSpider 2D Image | (2S)-2-(Octadecyloxy)-3-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C61H112O5

(2S)-2-(Octadecyloxy)-3-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC61H112O5
  • Average mass925.539 Da
  • Monoisotopic mass924.850952 Da
  • ChemSpider ID59654827

  • 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-(Octadecyloxy)-3-(stearoyloxy)propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-2-(Octadecyloxy)-3-(stearoyloxy)propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-2-(octadécyloxy)-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2S)-2-(octadecyloxy)-3-[(1-oxooctadecyl)oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-3-(octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-Octadecanoyl-2-octadecanyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol
1-Stearoyl-2-Stearyl-3-adrenoyl-glycerol
TAG(18:0/18:0/22:4)
TAG(58:4)
TG(18:0/18:0/22:4)
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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: 0.9±0.1 g/cm3
Boiling Point: 852.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 311.2±34.3 °C
Index of Refraction: 1.479
Molar Refractivity: 290.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.73
ACD/LogD (pH 5.5): 23.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 1023.6±3.0 cm3

Click to predict properties on the Chemicalize site


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