ChemSpider 2D Image | (2S,3S)-2-(4-{4-[(2R)-2,3-Dihydroxypropoxy]phenyl}-5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide | C28H27FIN3O6

(2S,3S)-2-(4-{4-[(2R)-2,3-Dihydroxypropoxy]phenyl}-5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide

  • Molecular FormulaC28H27FIN3O6
  • Average mass647.433 Da
  • Monoisotopic mass647.092834 Da
  • ChemSpider ID34893813

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-2-(4-{4-[(2R)-2,3-Dihydroxypropoxy]phenyl}-5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-(2-fluor-4-iodphenyl)-3-phenylbutanamid [German] [ACD/IUPAC Name]
(2S,3S)-2-(4-{4-[(2R)-2,3-Dihydroxypropoxy]phenyl}-5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide [ACD/IUPAC Name]
(2S,3S)-2-(4-{4-[(2R)-2,3-Dihydroxypropoxy]phényl}-5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-N-(2-fluoro-4-iodophényl)-3-phénylbutanamide [French] [ACD/IUPAC Name]
1H-Imidazole-1-acetamide, 4-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(2-fluoro-4-iodophenyl)-2,3-dihydro-5-hydroxy-2-oxo-α-[(1S)-1-phenylethyl]-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 275.11
ACD/KOC (pH 5.5): 1939.98
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.36
ACD/KOC (pH 7.4): 1927.59
Polar Surface Area: 131 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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