ChemSpider 2D Image | (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-4-(4-morpholinylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | C30H37FN2O7S

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

  • Molecular FormulaC30H37FN2O7S
  • Average mass588.687 Da
  • Monoisotopic mass588.230530 Da
  • ChemSpider ID9701959

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3r,5r)-7-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-4-(Morpholin-4-Ylsulfonyl)-3-Phenyl-1h-Pyrrol-1-Yl]-3,5-Dihydroxyheptanoic Acid
(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-4-(4-morpholinylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[2-(4-Fluorphenyl)-5-isopropyl-4-(4-morpholinylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-4-(4-morpholinylsulfonyl)-3-phenyl-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[2-(4-fluorophényl)-5-isopropyl-4-(4-morpholinylsulfonyl)-3-phényl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
RID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 14.08
ACD/KOC (pH 5.5): 96.48
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 138 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

Click to predict properties on the Chemicalize site


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