ChemSpider 2D Image | [(4aR,8aR)-7-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl](cyclopentyl)methanone | C19H28ClN5O2

[(4aR,8aR)-7-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl](cyclopentyl)methanone

  • Molecular FormulaC19H28ClN5O2
  • Average mass393.911 Da
  • Monoisotopic mass393.193146 Da
  • ChemSpider ID29496653

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4aR,8aR)-7-(2-Amino-5-chlor-6-methyl-4-pyrimidinyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl](cyclopentyl)methanon [German] [ACD/IUPAC Name]
[(4aR,8aR)-7-(2-Amino-5-chloro-6-methyl-4-pyrimidinyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl](cyclopentyl)methanone [ACD/IUPAC Name]
[(4aR,8aR)-7-(2-Amino-5-chloro-6-méthyl-4-pyrimidinyl)-4a-hydroxyoctahydro-2,7-naphtyridin-2(1H)-yl](cyclopentyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(4aR,8aR)-7-(2-amino-5-chloro-6-methyl-4-pyrimidinyl)octahydro-4a-hydroxy-2,7-naphthyridin-2(1H)-yl]cyclopentyl- [ACD/Index Name]
(4aR*,8aR*)-2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-7-(cyclopentylcarbonyl)octahydro-2,7-naphthyridin-4a(2H)-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 143.77
Polar Surface Area: 96 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement