ChemSpider 2D Image | (2S)-3-(Palmitoyloxy)-2-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C56H98O6

(2S)-3-(Palmitoyloxy)-2-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC56H98O6
  • Average mass867.374 Da
  • Monoisotopic mass866.736328 Da
  • ChemSpider ID59653365

  • 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-(Palmitoyloxy)-2-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
(2S)-3-(Palmitoyloxy)-2-(pentadecanoyloxy)propyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de (2S)-3-(palmitoyloxy)-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, (2S)-3-[(1-oxohexadecyl)oxy]-2-[(1-oxopentadecyl)oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Hexadecanoyl-2-pentadecanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol
1-Palmitoyl-2-pentadecanoyl-3-osbondoyl-glycerol
TAG(16:0/15:0/22:5)
TAG(53:5)
TG(16:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
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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: 808.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 300.9±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 267.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.85
ACD/LogD (pH 5.5): 20.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 105.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 931.8±3.0 cm3

Click to predict properties on the Chemicalize site


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