ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate | C29H32FNO4

2-Methyl-2-propanyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID57618071

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophényl)-3-quinoléinyl]-3,5-dihydroxy-6-hepténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,5S)-7-[2-cyclopropyl-4-(4-fluorphenyl)-3-chinolinyl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S)- [ACD/Index Name]
586966-54-3 [RN]
MFCD12755990 [MDL number]
TERT-BUTHYL PITAVASTATIN
tert-Butyl pitavastatin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.7±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2223.86
ACD/KOC (pH 5.5): 8210.55
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2674.27
ACD/KOC (pH 7.4): 9873.46
Polar Surface Area: 80 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 386.6±3.0 cm3

Click to predict properties on the Chemicalize site


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