ChemSpider 2D Image | 1,3-Bis(pentadecanoyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C53H96O6

1,3-Bis(pentadecanoyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID30777690

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z,8Z,11Z)-5,8,11-Icosatriénoate de 1,3-bis(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(pentadecanoyloxy)-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
1,3-Bis(pentadecanoyloxy)-2-propanyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, 2-[(1-oxopentadecyl)oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
1,3-bis(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-Pentadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-pentadecanoyl-glycerol
1-Pentadecanoyl-2-meadoyl-3-pentadecanoyl-glycerol
TAG(15:0/20:3/15:0)
TAG(50:3)
TG(15:0/20:3(5Z,8Z,11Z)/15:0)
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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: 783.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.477
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.55
ACD/LogD (pH 5.5): 20.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 895.1±3.0 cm3

Click to predict properties on the Chemicalize site


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