ChemSpider 2D Image | 2,3-Bis(heptadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C57H104O6

2,3-Bis(heptadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID7823158

  • 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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 2,3-bis(heptadecanoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(heptadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
2,3-Bis(heptadecanoyloxy)propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2,3-bis[(1-oxoheptadecyl)oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2,3-bis(heptadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1,2-diheptadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
TG(17:0/17:0/20:3(8Z,11Z,14Z))[iso3]
TG(17:0/17:0/20:3)[iso3]
TG(17:017:020:3)
TG(54:3)

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

LMGL03010243 [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: 818.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.55
ACD/LogD (pH 5.5): 21.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement