Found 1 result

Search term: 59660438 (Found by CSID)
ChemSpider 2D Image | (2S)-3-[(11Z)-11-Icosenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C63H108O6

(2S)-3-[(11Z)-11-Icosenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59660438

  • 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-[(11Z)-11-Icosenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-[(11Z)-11-Icosenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2S)-3-[(11Z)-11-icosenoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-3-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1-(11-Eicosenoyl)-2-(9Z-octadecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol
1-Eicosenoyl-2-oleoyl-3-docosapentaenoyl-glycerol
TAG(20:1/18:1/22:5)
TAG(60:7)
TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
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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: 866.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 314.8±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 299.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.34
ACD/LogD (pH 5.5): 21.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 1034.6±3.0 cm3

Click to predict properties on the Chemicalize site


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