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Search term: 59653307 (Found by CSID)
ChemSpider 2D Image | 2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z)-13-docosenoate | C58H112O5

2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z)-13-docosenoate

  • Molecular FormulaC58H112O5
  • Average mass889.507 Da
  • Monoisotopic mass888.850952 Da
  • ChemSpider ID59653307

  • 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

(13Z)-13-Docosénoate de 2-(octadécyloxy)-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 2-(octadecyloxy)-3-[(1-oxopentadecyl)oxy]propyl ester, (13Z)- [ACD/Index Name]
2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
(2S)-2-(octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate
1-Pentadecanoyl-2-octadecanyl-3-(13Z-docosenoyl)-glycerol
1-Pentadecanoyl-2-Stearyl-3-erucoyl-glycerol
TAG(15:0/18:0/22:1)
TAG(55:1)
TG(15:0/18:0/22:1)
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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: 829.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 305.1±28.8 °C
Index of Refraction: 1.468
Molar Refractivity: 276.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 26.01
ACD/LogD (pH 5.5): 24.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 109.4±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 993.2±3.0 cm3

Click to predict properties on the Chemicalize site


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