ChemSpider 2D Image | (3R,5R)-7-[2-(4-Fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | C28H34FN3O6

(3R,5R)-7-[2-(4-Fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC28H34FN3O6
  • Average mass527.584 Da
  • Monoisotopic mass527.243164 Da
  • ChemSpider ID23329377

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3r,5r)-7-[2-(4-Fluorophenyl)-4-{[(1s)-2-Hydroxy-1-Phenylethyl]carbamoyl}-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-3,5-Dihydroxyheptanoic Acid
(3R,5R)-7-[2-(4-Fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[2-(4-Fluorphenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Imidazole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]carbonyl]-5-(1-methylethyl)-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[2-(4-fluorophényl)-4-{[(1S)-2-hydroxy-1-phényléthyl]carbamoyl}-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
(3R,5R)-7-(4-(((S)-2-hydroxy-1-phenylethyl)carbamoyl)-2-(4-fluorophenyl)-5-isopropyl-1H-imidazol-1-yl)-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
5HI
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487631/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 138.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.42
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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