ChemSpider 2D Image | (2R)-2,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C61H96O6

(2R)-2,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC61H96O6
  • Average mass925.411 Da
  • Monoisotopic mass924.720703 Da
  • ChemSpider ID7824523

  • 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)-2,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2R)-2,3-bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2R)-2,3-bis[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
1-a-Linolenoyl-2-a-linolenoyl-3-docosapentaenoyl-glycerol
1-α-Linolenoyl-2-α-linolenoyl-3-docosapentaenoyl-glycerol
TAG(18:3/18:3/22:5)
TAG(18:3n3/18:3n3/22:5n3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03011612 [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: 847.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 311.6±34.3 °C
Index of Refraction: 1.507
Molar Refractivity: 290.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 20.88
ACD/LogD (pH 5.5): 17.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.2±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 976.0±3.0 cm3

Click to predict properties on the Chemicalize site


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