PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


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/LogP:
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






Advertisement