ChemSpider 2D Image | 3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(icosanoyloxy)propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate | C62H110O6

3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(icosanoyloxy)propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate

  • Molecular FormulaC62H110O6
  • Average mass951.533 Da
  • Monoisotopic mass950.830261 Da
  • ChemSpider ID7824115

  • 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

(10Z,13Z,16Z)-10,13,16-Docosatriénoate de 3-[(9Z,12Z)-9,12-heptadecadienoyloxy]-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
10,13,16-Docosatrienoic acid, 2-[(1-oxoeicosyl)oxy]-3-[[(9Z,12Z)-1-oxo-9,12-heptadecadien-1-yl]oxy]propyl ester, (10Z,13Z,16Z)- [ACD/Index Name]
3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(icosanoyloxy)propyl (10Z,13Z,16Z)-10,13,16-docosatrienoate [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(icosanoyloxy)propyl-(10Z,13Z,16Z)-10,13,16-docosatrienoat [German] [ACD/IUPAC Name]
1-(9Z,12Z-heptadecadienoyl)-2-eicosanoyl-3-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG(17:2(9Z,12Z)/20:0/22:3(10Z,13Z,16Z))[iso6]
TG(17:2/20:0/22:3)[iso6]
TG(17:220:022:3)
TG(59:5)

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

LMGL03011204 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 312.7±34.3 °C
Index of Refraction: 1.484
Molar Refractivity: 294.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.17
ACD/LogD (pH 5.5): 22.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 116.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 1030.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement