ChemSpider 2D Image | (3E,5E,7E,9E,11E,13E,15E,17E)-18-({(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-3,5,7,9,11,13,15,17-Octadecaoctaenoyloxy]-3,5,7,9,11,13,15,17-octadecaoctaenoyl}oxy)-3,5,7,9,11,13,15,17- octadecaoctaenoic acid | C54H56O6

(3E,5E,7E,9E,11E,13E,15E,17E)-18-({(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-3,5,7,9,11,13,15,17-Octadecaoctaenoyloxy]-3,5,7,9,11,13,15,17-octadecaoctaenoyl}oxy)-3,5,7,9,11,13,15,17- octadecaoctaenoic acid

  • Molecular FormulaC54H56O6
  • Average mass801.019 Da
  • Monoisotopic mass800.407715 Da
  • ChemSpider ID4942234

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E,7E,9E,11E,13E,15E,17E)-18-({(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-3,5,7,9,11,13,15,17-Octadecaoctaenoyloxy]-3,5,7,9,11,13,15,17-octadecaoctaenoyl}oxy)-3,5,7,9,11,13,15,17- octadecaoctaenoic acid [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13E,15E,17E)-18-({(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-3,5,7,9,11,13,15,17-Octadecaoctaenoyloxy]-3,5,7,9,11,13,15,17-octadecaoctaenoyl}oxy)-3,5,7,9,11,13,15,17- octadecaoctaensäure [German] [ACD/IUPAC Name]
3,5,7,9,11,13,15,17-Octadecaoctaenoic acid, 18-[[(3E,5E,7E,9E,11E,13E,15E)-1-oxo-3,5,7,9,11,13,15,17-octadecaoctaen-1-yl]oxy]-, (1E,3E,5E,7E,9E,11E,13E,15E)-17-carboxy-1,3,5,7,9,11,13,15-heptadecaocta en-1-yl ester, (3E,5E,7E,9E,11E,13E,15E,17E)- [ACD/Index Name]
Acide (3E,5E,7E,9E,11E,13E,15E,17E)-18-({(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-3,5,7,9,11,13,15,17-octadecaoctaenoyloxy]-3,5,7,9,11,13,15,17-octadecaoctaenoyl}oxy)-3,5,7,9,11,13, 15,17-octadécaoctaénoïque [French] [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13E,15E,17E)-18-{[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-OCTADECA-3,5,7,9,11,13,15,17-OCTAENOYLOXY]OCTADECA-3,5,7,9,11,13,15,17-OCTAENOYL]OXY}OCTADECA-3,5,7,9,11,13,15,17-OCTAENOIC ACID
58449-70-0 [RN]
68937-90-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 967.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.7±6.0 kJ/mol
Flash Point: 273.4±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 258.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.73
ACD/LogD (pH 5.5): 9.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 880211.88
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 87348.14
ACD/KOC (pH 7.4): 15298.91
Polar Surface Area: 90 Å2
Polarizability: 102.4±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 769.7±3.0 cm3

Click to predict properties on the Chemicalize site


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