ChemSpider 2D Image | axelopran | C26H39N3O4

axelopran

  • Molecular FormulaC26H39N3O4
  • Average mass457.606 Da
  • Monoisotopic mass457.294067 Da
  • ChemSpider ID31444004
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-[(1R,3r,5S)-8-(2-{(cyclohexylmethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
3-[(3-endo)-8-(2-{(Cyclohexylmethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamid [German] [ACD/IUPAC Name]
3-[(3-endo)-8-(2-{(Cyclohexylmethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide [ACD/IUPAC Name]
3-[(3-endo)-8-(2-{(Cyclohexylméthyl)[(2S)-2,3-dihydroxypropanoyl]amino}éthyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide [French] [ACD/IUPAC Name]
85U7ROB149
949904-48-7 [RN]
9789
axeloprán [Spanish] [INN]
axélopran [French] [INN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 107 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 382.7±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form