ChemSpider 2D Image | TRIDOCOSAHEXAENOIN | C69H98O6

TRIDOCOSAHEXAENOIN

  • Molecular FormulaC69H98O6
  • Average mass1023.513 Da
  • Monoisotopic mass1022.736328 Da
  • ChemSpider ID7825519

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z,4''Z,7''Z,10''Z,13''Z,16''Z,19''Z)Tris(-4,7,10,13,16,19-docosahexaénoate) de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z,4''Z,7''Z,10''Z,13''Z,16''Z,19''Z)tris(-4,7,10,13,16,19-docosahexaenoate) [ACD/IUPAC Name]
1,2,3-Propantriyl-(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z,4''Z,7''Z,10''Z,13''Z,16''Z,19''Z)tris(-4,7,10,13,16,19-docosahexaenoat) [German] [ACD/IUPAC Name]
1,2,3-Tridocosahexaenoyl Glycerol
11094-59-0 [RN]
124596-98-1 [RN]
4,7,10,13,16,19-Docosahexaenoic acid, 1,2,3-propanetriyl ester, (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z,4''Z,7''Z,10''Z,13''Z,16''Z,19''Z)- [ACD/Index Name]
all-cis-1,2,3-Docosahexaenoyl Glycerol
GLYCERYL TRIDOCOSAHEXAENOATE
TRIDOCOSAHEXAENOIN
More...

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

679339435D [DBID]
LMGL03012611 [DBID]
UNII:679339435D [DBID]
UNII-679339435D [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 907.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 328.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 20.95
ACD/LogD (pH 5.5): 17.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 130.0±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 1063.4±3.0 cm3

Click to predict properties on the Chemicalize site


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