Found 1 result

Search term: 59652200 (Found by CSID)
ChemSpider 2D Image | (2S)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C55H90O6

(2S)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC55H90O6
  • Average mass847.299 Da
  • Monoisotopic mass846.673767 Da
  • ChemSpider ID59652200

  • 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-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(tetradecanoyloxy)-2-propanyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-1-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1S)-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Myristoyl-2-arachidonoyl-3-stearidonoyl-glycerol
1-Tetradecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
TAG(14:0/20:4/18:4)
TAG(52:8)
TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
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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: 797.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 299.1±32.9 °C
Index of Refraction: 1.498
Molar Refractivity: 262.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 19.60
ACD/LogD (pH 5.5): 17.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.1±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 896.1±3.0 cm3

Click to predict properties on the Chemicalize site


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