ChemSpider 2D Image | N-{(2S)-2-[(1S,4R,5S,6S,8R)-4-(Dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-1-yl]-2-hydroxyethyl}-3-(4-morpholinyl)propanamide | C27H43N3O5

N-{(2S)-2-[(1S,4R,5S,6S,8R)-4-(Dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-1-yl]-2-hydroxyethyl}-3-(4-morpholinyl)propanamide

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID60584653

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-Morpholinepropanamide, N-[(2S)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-1-yl]-2-hydroxyethyl]- [ACD/Index Name]
N-{(2S)-2-[(1S,4R,5S,6S,8R)-4-(Dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-1-yl]-2-hydroxyethyl}-3-(4-morpholinyl)propanamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(1S,4R,5S,6S,8R)-4-(Dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]dec-1-yl]-2-hydroxyethyl}-3-(4-morpholinyl)propanamide [ACD/IUPAC Name]
N-{(2S)-2-[(1S,4R,5S,6S,8R)-4-(Diméthylamino)-5-hydroxy-6-méthyl-8-phényl-10-oxabicyclo[4.3.1]déc-1-yl]-2-hydroxyéthyl}-3-(4-morpholinyl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.22
Polar Surface Area: 95 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 403.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement