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ChemSpider 2D Image | (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-(~13~C_6_)phenyl-4-(phenylcarbamoyl)(2,3-~13~C_2_)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | C2513C8H35FN2O5

(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-(13C6)phenyl-4-(phenylcarbamoyl)(2,3-13C2)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC2513C8H35FN2O5
  • Average mass566.581 Da
  • Monoisotopic mass566.279846 Da
  • ChemSpider ID8730744
  • 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,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-(13C6)phenyl-4-(phenylcarbamoyl)(2,3-13C2)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[2-(4-Fluorphenyl)-5-isopropyl-3-(13C6)phenyl-4-(phenylcarbamoyl)(2,3-13C2)-1H-pyrrol-1-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2,3-13C2-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-(phenyl-13C6)-4-[(phenylamino)carbonyl]-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[2-(4-fluorophényl)-5-isopropyl-3-(13C6)phényl-4-(phénylcarbamoyl)(2,3-13C2)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoïque [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/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