ChemSpider 2D Image | (3R,5R)-7-{2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-[phenyl(~2~H)carbamoyl]-1H-pyrrol-1-yl}-3,5-bis[(~2~H)hydroxy]heptan(~2~H)oic acid | C33H31D4FN2O5

(3R,5R)-7-{2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-[phenyl(2H)carbamoyl]-1H-pyrrol-1-yl}-3,5-bis[(2H)hydroxy]heptan(2H)oic acid

  • Molecular FormulaC33H31D4FN2O5
  • Average mass562.664 Da
  • Monoisotopic mass562.278137 Da
  • ChemSpider ID95636702

  • 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-phenyl-4-[phenyl(2H)carbamoyl]-1H-pyrrol-1-yl}-3,5-bis[(2H)hydroxy]heptan(2H)oic acid [ACD/IUPAC Name]
(3R,5R)-7-{2-(4-Fluorphenyl)-5-isopropyl-3-phenyl-4-[phenyl(2H)carbamoyl]-1H-pyrrol-1-yl}-3,5-bis[(2H)hydroxy]heptan(2H)säure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid-d, 2-(4-fluorophenyl)-β,δ-di(hydroxy-d)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino-d)carbonyl]-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{2-(4-fluorophényl)-5-isopropyl-3-phényl-4-[phényl(2H)carbamoyl]-1H-pyrrol-1-yl}-3,5-bis[(2H)hydroxy]heptan(2H)oïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 55.92
ACD/KOC (pH 5.5): 259.15
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.40
Polar Surface Area: 112 Å2
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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