ChemSpider 2D Image | S-FEXOFENADINE | C32H39NO4

S-FEXOFENADINE

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID5036161

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

139965-11-0 [RN]
2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-methylpropansäure [German] [ACD/IUPAC Name]
2-{4-[(1S)-1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl]phenyl}-2-methylpropanoic acid
Acide 2-{4-[(1S)-1-hydroxy-4-{4-[hydroxy(diphényl)méthyl]-1-pipéridinyl}butyl]phényl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(1S)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl- [ACD/Index Name]
S-FEXOFENADINE
(S)-Fexofenadine
?S?-Fexofenadine
1-[(4S)-4-[4-(1-CARBOXYLATO-1-METHYLETHYL)PHENYL]-4-HYDROXYBUTYL]-4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-IUM
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Lopac-F-9427 [DBID]
NCGC00015453-01 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 9.83
ACD/KOC (pH 5.5): 34.25
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 35.99
Polar Surface Area: 81 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 428.1±3.0 cm3

Click to predict properties on the Chemicalize site


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