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Search term: 59656166 (Found by CSID)
ChemSpider 2D Image | 1-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C63H108O6

1-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59656166

  • 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

(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de 1-(docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
1-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[(1-oxodocosyl)oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-(docosanoyloxy)-3-[(9Z)-hexadec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Behenoyl-2-docosahexaenoyl-3-palmitoleoyl-glycerol
1-Docosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-hexadecenoyl)-glycerol
TAG(22:0/22:6/16:1)
TAG(60:7)
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
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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: 24.37
ACD/LogD (pH 5.5): 21.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.60
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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