ChemSpider 2D Image | 1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (9Z)-9-octadecenoate | C53H96O6

1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID30777886

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 1,3-bis[(9Z)-9-hexadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-hexadecenoyloxy]-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-(9Z-Hexadecenoyl)-2-(9Z-octadecenoyl)-3-(9Z-hexadecenoyl)-glycerol
1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
1-Palmitoleoyl-2-oleoyl-3-palmitoleoyl-glycerol
TAG(16:1/18:1/16:1)
TAG(50:3)
TG(16:1(9Z)/18:1(9Z)/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: 783.8±50.0 °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±30.2 °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: 21.59
ACD/LogD (pH 5.5): 19.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.49
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

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