ChemSpider 2D Image | (4E,7R,8E,10E,12E,14S)-7,14-Dihydroxy-4,8,10,12-octadecatetraenedioic acid | C18H26O6

(4E,7R,8E,10E,12E,14S)-7,14-Dihydroxy-4,8,10,12-octadecatetraenedioic acid

  • Molecular FormulaC18H26O6
  • Average mass338.395 Da
  • Monoisotopic mass338.172943 Da
  • ChemSpider ID107562507
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4E,7R,8E,10E,12E,14S)-7,14-Dihydroxy-4,8,10,12-octadecatetraendisäure [German] [ACD/IUPAC Name]
(4E,7R,8E,10E,12E,14S)-7,14-Dihydroxy-4,8,10,12-octadecatetraenedioic acid [ACD/IUPAC Name]
4,8,10,12-Octadecatetraenedioic acid, 7,14-dihydroxy-, (4E,7R,8E,10E,12E,14S)- [ACD/Index Name]
Acide (4E,7R,8E,10E,12E,14S)-7,14-dihydroxy-4,8,10,12-octadécatétraènedioïque [French] [ACD/IUPAC Name]
(7R,14S)-7,14-Dihydroxyoctadeca-4,8,10,12-tetraenedioic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 340.4±28.0 °C
Index of Refraction: 1.557
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

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