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Search term: 59652851 (Found by CSID)
ChemSpider 2D Image | 1-(Pentadecanoyloxy)-3-(stearoyloxy)-2-propanyl (13Z)-13-docosenoate | C58H110O6

1-(Pentadecanoyloxy)-3-(stearoyloxy)-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC58H110O6
  • Average mass903.490 Da
  • Monoisotopic mass902.830261 Da
  • ChemSpider ID59652851

  • 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 1-(pentadecanoyloxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Pentadecanoyloxy)-3-(stearoyloxy)-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
1-(Pentadecanoyloxy)-3-(stearoyloxy)-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, 2-[(1-oxooctadecyl)oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2S)-1-(octadecanoyloxy)-3-(pentadecanoyloxy)propan-2-yl (13Z)-docos-13-enoate
1-Pentadecanoyl-2-(13Z-docosenoyl)-3-octadecanoyl-glycerol
1-Pentadecanoyl-2-erucoyl-3-stearoyl-glycerol
TAG(15:0/22:1/18:0)
TAG(55:1)
TG(15:0/22:1(13Z)/18:0)
More...

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: 820.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 301.5±25.2 °C
Index of Refraction: 1.470
Molar Refractivity: 276.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.28
ACD/LogD (pH 5.5): 23.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 109.5±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 990.4±3.0 cm3

Click to predict properties on the Chemicalize site


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