ChemSpider 2D Image | (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy(6,7,14,15-~2~H_4_)-6,8,10,14,16-icosapentaenoic acid | C20H26D4O5

(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy(6,7,14,15-2H4)-6,8,10,14,16-icosapentaenoic acid

  • Molecular FormulaC20H26D4O5
  • Average mass354.474 Da
  • Monoisotopic mass354.234436 Da
  • ChemSpider ID68003947
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy(6,7,14,15-2H4)-6,8,10,14,16-icosapentaenoic acid [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy(6,7,14,15-2H4)-6,8,10,14,16-icosapentaensäure [German] [ACD/IUPAC Name]
6,8,10,14,16-Eicosapentaenoic-6,7,14,15-d4 acid, 5,12,18-trihydroxy-, (5S,6Z,8E,10E,12R,14Z,16E,18R)- [ACD/Index Name]
Acide (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxy(6,7,14,15-2H4)-6,8,10,14,16-icosapentaénoïque [French] [ACD/IUPAC Name]
5S,12R,18R-trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic-6,7,14,15-d4 acid
Resolvin E1-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.5±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 25.96
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

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