ChemSpider 2D Image | [(4S,5S)-4-(6-Amino-9H-purin-9-yl)-5-hydroxy-1-azepanyl][4-(3-fluorobenzyl)-1-methyl-4-piperidinyl]methanone | C25H32FN7O2

[(4S,5S)-4-(6-Amino-9H-purin-9-yl)-5-hydroxy-1-azepanyl][4-(3-fluorobenzyl)-1-methyl-4-piperidinyl]methanone

  • Molecular FormulaC25H32FN7O2
  • Average mass481.566 Da
  • Monoisotopic mass481.260162 Da
  • ChemSpider ID68386219

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4S,5S)-4-(6-Amino-9H-purin-9-yl)-5-hydroxy-1-azepanyl][4-(3-fluorbenzyl)-1-methyl-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
[(4S,5S)-4-(6-Amino-9H-purin-9-yl)-5-hydroxy-1-azepanyl][4-(3-fluorobenzyl)-1-methyl-4-piperidinyl]methanone [ACD/IUPAC Name]
[(4S,5S)-4-(6-Amino-9H-purin-9-yl)-5-hydroxy-1-azépanyl][4-(3-fluorobenzyl)-1-méthyl-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(4S,5S)-4-(6-amino-9H-purin-9-yl)hexahydro-5-hydroxy-1H-azepin-1-yl][4-[(3-fluorophenyl)methyl]-1-methyl-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.7±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 24.08
Polar Surface Area: 113 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

Click to predict properties on the Chemicalize site


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