ChemSpider 2D Image | (2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoate) | C65H104O6

(2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoate)

  • Molecular FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID7825222

  • 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

(2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propandiyl-(7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoat) [German] [ACD/IUPAC Name]
(2R)-3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoate) [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)Bis(-7,10,13,16-docosatétraénoate) de (2R)-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-(9Z,12Z,15Z-octadecatrienoyl)-2,3-di-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
1-Adrenoyl-2-adrenoyl-3-a-linolenoyl-glycerol
TAG(22:4/22:4/18:3)
TAG(62:11)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03012312 [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: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.505
Molar Refractivity: 309.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.01
ACD/LogD (pH 5.5): 19.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1042.1±3.0 cm3

Click to predict properties on the Chemicalize site


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