ChemSpider 2D Image | (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl(3-~14~C)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid | C2314CH26FNO4

(3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl(3-14C)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid

  • Molecular FormulaC2314CH26FNO4
  • Average mass413.458 Da
  • Monoisotopic mass413.187836 Da
  • ChemSpider ID8677277
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl(3-14C)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid [ACD/IUPAC Name]
(3R,5S,6E)-7-[3-(4-Fluorphenyl)-1-isopropyl(3-14C)-1H-indol-2-yl]-3,5-dihydroxy-6-heptensäure [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl-3-14C]-3,5-dihydroxy-, (3R,5S,6E)- [ACD/Index Name]
Acide (3R,5S,6E)-7-[3-(4-fluorophényl)-1-isopropyl(3-14C)-1H-indol-2-yl]-3,5-dihydroxy-6-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

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