ChemSpider 2D Image | 1718706 | C57H92O6

1718706

  • Molecular FormulaC57H92O6
  • Average mass873.337 Da
  • Monoisotopic mass872.689392 Da
  • ChemSpider ID4575640
  • Double-bond stereo - Double-bond stereo


More details:






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

(9Z,12Z,15Z,9'Z,12'Z,15'Z,9''Z,12''Z,15''Z)Tris(-9,12,15-octadécatriénoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (9Z,12Z,15Z,9'Z,12'Z,15'Z,9''Z,12''Z,15''Z)tris(-9,12,15-octadecatrienoate) [ACD/IUPAC Name]
1,2,3-Propanetriyl linolenate
1,2,3-Propantriyl-(9Z,12Z,15Z,9'Z,12'Z,15'Z,9''Z,12''Z,15''Z)tris(-9,12,15-octadecatrienoat) [German] [ACD/IUPAC Name]
1,2,3-Tri-(cis,cis,cis-9,12,15-octadecatrienoyl)glycerol
1,2,3-Trilinolenoylglycerol
14465-68-0 [RN]
1718706
238-457-5 [EINECS]
9,12,15-Octadecatrienoic acid, 1,2,3-propanetriyl ester, (9Z,12Z,15Z,9'Z,12'Z,15'Z,9''Z,12''Z,15''Z)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OI7S0A9873 [DBID]
92118_FLUKA [DBID]
LMGL03010527 [DBID]
T6513_SIGMA [DBID]
UNII:OI7S0A9873 [DBID]
UNII-OI7S0A9873 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 814.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 303.4±34.3 °C
Index of Refraction: 1.501
Molar Refractivity: 271.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 20.12
ACD/LogD (pH 5.5): 16.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 922.8±3.0 cm3

Click to predict properties on the Chemicalize site






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