ChemSpider 2D Image | (2R)-2,3-Bis[(9Z)-9-octadecenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C59H100O6

(2R)-2,3-Bis[(9Z)-9-octadecenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC59H100O6
  • Average mass905.422 Da
  • Monoisotopic mass904.752014 Da
  • ChemSpider ID7823659

  • 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)-9-octadecenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z)-9-octadecenoyloxy]propyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (2R)-2,3-bis[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2R)-2,3-bis[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1,2-di-(9Z-octadecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
1-Oleoyl-2-oleoyl-3-eicosapentaenoyl-glycerol
TAG(18:1/18:1/20:5)
TAG(18:1n9/18:1n9/20:5n3)
TAG(18:1w9/18:1w9/20:5w3)
More...

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

LMGL03010748 [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: 832.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 307.2±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.34
ACD/LogD (pH 5.5): 19.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 968.6±3.0 cm3

Click to predict properties on the Chemicalize site


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