ChemSpider 2D Image | (3S,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxy(3-~14~C)heptanoic acid | C3214CH35FN2O5

(3S,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxy(3-14C)heptanoic acid

  • Molecular FormulaC3214CH35FN2O5
  • Average mass560.632 Da
  • Monoisotopic mass560.256226 Da
  • ChemSpider ID13103333
  • 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

(3S,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxy(3-14C)heptanoic acid [ACD/IUPAC Name]
(3S,5R)-7-[2-(4-Fluorphenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxy(3-14C)heptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic-β-14C acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, (βS,δR)- [ACD/Index Name]
Acide (3S,5R)-7-[2-(4-fluorophényl)-5-isopropyl-3-phényl-4-(phénylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxy(3-14C)heptanoïque [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: 1.603
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 61.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 451.9±7.0 cm3

Click to predict properties on the Chemicalize site






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